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

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)quinazolin-4-one Openeye Name: 2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(4-oxo-4-pyrrolidin-1-yl-butyl)quinazolin-4-one CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-[4-oxo-4-(1-pyrrolidinyl)butyl]-4-quinazolinone IUPAC Name: 2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-4-one Traditional Name: 2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-(4-keto-4-pyrrolidino-butyl)quinazolin-4-one Formula: C25H24ClN5O3S MolecularWeight: 510.00776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C25H24ClN5O3S/c26-17-9-10-21-27-18(14-23(33)31(21)15-17)16-35-25-28-20-7-2-1-6-19(20)24(34)30(25)13-5-8-22(32)29-11-3-4-12-29/h1-2,6-7,9-10,14-15H,3-5,8,11-13,16H2