6-bromanyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-bromo-3-isobutyl-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-bromo-2-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-bromo-3-isobutyl-2-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C22H22BrN4O2S+ MolecularWeight: 486.40468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=C(C=C(C=C4)Br)C(=O)N3CC(C)C

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=NC4=C(C=C(C=C4)Br)C(=O)N3CC(C)C

InChI

InChI=1S/C22H21BrN4O2S/c1-13(2)11-27-21(29)17-9-15(23)6-7-18(17)25-22(27)30-12-16-10-19(28)26-8-4-5-14(3)20(26)24-16/h4-10,13H,11-12H2,1-3H3/p+1