6-bromanyl-2-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[(4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N4C=CC=C(C4=N3)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N4C=CC=C(C4=N3)C

InChI

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