Basic information
- CAS
476482-88-9- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(C(N)=O)CC1)n2CCSc1ncccn1- InChIKey
VJGWDFDTUGOACK-UHFFFAOYSA-N- Molecular formula
- C18H22N8O3S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.15355777
Names & identifiers
- Preferred name
- 1-{3-Methyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide
- IUPAC
- 1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamide
Names & synonyms
476482-88-91-(3-METHYL-2,6-DIOXO-7-(2-(2-PYRIMIDINYLSULFANYL)ETHYL)-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)-4-PIPERIDINECARBOXAMIDE1-{3-Methyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamideRefChem:424012648-484-81-(3-methyl-2,6-dioxo-7-(2-(pyrimidin-2-ylthio)ethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide1-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperidine-4-carboxamideSTK562379AKOS001371960AKOS005488189ST51072134AB00674017-01
Show more names
SR-01000083901SR-01000083901-1F1342-0096Z2390831361-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylthioethyl)-1,3,7-trihydropurin-8-yl]p iperidine-4-carboxamide1-{6-hydroxy-3-methyl-2-oxo-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-8-yl}piperidine-4-carboxamide
Database identifiers
- CAS
476482-88-9
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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