2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(1-phenylbutan-2-yl)quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(1-phenylbutan-2-yl)quinazolin-4-one Openeye Name: 3-(1-benzylpropyl)-2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(1-phenylbutan-2-yl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(1-phenylbutan-2-yl)quinazolin-4-one Traditional Name: 3-(1-benzylpropyl)-2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]quinazolin-4-one Formula: C27H23ClN4O2S MolecularWeight: 503.01512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

Isomeric SMILES

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C27H23ClN4O2S/c1-2-21(14-18-8-4-3-5-9-18)32-26(34)22-10-6-7-11-23(22)30-27(32)35-17-20-15-25(33)31-16-19(28)12-13-24(31)29-20/h3-13,15-16,21H,2,14,17H2,1H3