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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butyl-quinazolin-4-one Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butyl-quinazolin-4-one CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-butyl-4-quinazolinone IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-butylquinazolin-4-one Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-butyl-quinazolin-4-one Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-2-3-10-25-20(28)16-6-4-5-7-17(16)24-21(25)29-13-15-11-19(27)26-12-14(22)8-9-18(26)23-15/h4-9,11-12H,2-3,10,13H2,1H3