4-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-4-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazoline-7-carboxylic acid Traditional Name: 3-benzyl-4-keto-2-[(4-keto-1H-quinazolin-2-yl)methylthio]quinazoline-7-carboxylic acid Formula: C25H18N4O4S MolecularWeight: 470.49982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H18N4O4S/c30-22-17-8-4-5-9-19(17)26-21(28-22)14-34-25-27-20-12-16(24(32)33)10-11-18(20)23(31)29(25)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,32,33)(H,26,28,30)