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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-13(2)10-26-20(28)16-5-3-4-6-17(16)24-21(26)29-12-15-9-19(27)25-11-14(22)7-8-18(25)23-15/h3-9,11,13H,10,12H2,1-2H3