2-((7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)sulfanyl)-N-phenylacetamide
Basic information
- CAS
476481-80-8- Standard SMILES
CCOCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C- InChIKey
RUKAUPMKGAOXSG-UHFFFAOYSA-N- Molecular formula
- C18H21N5O4S
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.13142534
Names & identifiers
- Preferred name
- 2-((7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)sulfanyl)-N-phenylacetamide
- IUPAC
- 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide
- English name
- SALOR-INT L217565-1EA
- Molecular formula
- C18H21N5O4S
- Molecular weight
- 403.46
Names & synonyms
476481-80-82-{[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide2-((7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL)sulfanyl)-N-phenylacetamideRefChem:449766648-562-12-((7-(2-ethoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-phenylacetamide2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamideSTK563181AKOS001298046AKOS005488815EU-0045499ST51072106
Show more names
SALOR-INT L217565-1EAAcetamide, 2-[[7-(2-ethoxyethyl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purin-8-yl]thio]-N-phenyl-2-([7-(2-ETHOXYETHYL)-3-METHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]SULFANYL)-N-PHENYLACETAMIDE
AB00673620-01SR-01000110682SR-01000110682-1F1191-0146Z2238471702-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxo(1,3,7-trihydropurin-8-ylthio)]-N-pheny lacetamide2-{[7-(2-ethoxyethyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}-N-phenylacetamide
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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