Basic information
- CAS
477735-20-9- Standard SMILES
COCCCN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S- InChIKey
PDPXDKOZRHDRQH-MNDPQUGUSA-N- Molecular formula
- C24H31N5O4S2
- Average molar mass
- 517.7 g/mol
- Monoisotopic mass
- 517.18174683
Names & identifiers
- Preferred name
- 3-((Z)-(3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)met hyl)-9-methyl-2-((3-(4-morpholinyl)propyl)amino)-4H-pyrido(1,2-A)pyrimid IN-4-one
- IUPAC
- (5Z)-3-(3-methoxypropyl)-5-[[9-methyl-2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
477735-20-93-((Z)-(3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)met hyl)-9-methyl-2-((3-(4-morpholinyl)propyl)amino)-4H-pyrido(1,2-A)pyrimid IN-4-one3-{(Z)-[3-(3-METHOXYPROPYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]MET HYL}-9-METHYL-2-{[3-(4-MORPHOLINYL)PROPYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMID IN-4-ONERefChem:489040650-645-23-{(Z)-[3-(3-METHOXYPROPYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-9-METHYL-2-{[3-(4-MORPHOLINYL)PROPYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE(Z)-3-(3-methoxypropyl)-5-((9-methyl-2-((3-morpholinopropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-oneAKOS002232519
Database identifiers
- CAS
477735-20-9- PubChem CID
- 5876901
- EC Number
- 650-645-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,030
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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