2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-4-keto-quinazoline-7-carboxylic acid Formula: C25H17BrN4O4S MolecularWeight: 549.39588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C25H17BrN4O4S/c26-17-7-9-21-27-18(11-22(31)29(21)13-17)14-35-25-28-20-10-16(24(33)34)6-8-19(20)23(32)30(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,33,34)