4-[2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C29H26ClN5O3S MolecularWeight: 560.06644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C29H26ClN5O3S/c30-21-12-13-25-32-22(17-27(37)35(25)18-21)19-39-29-33-24-10-5-4-9-23(24)28(38)34(29)16-6-11-26(36)31-15-14-20-7-2-1-3-8-20/h1-5,7-10,12-13,17-18H,6,11,14-16,19H2,(H,31,36)