2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C26H21FN2O4S MolecularWeight: 476.519343

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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=C2SCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN2O4S/c27-20-11-8-18(9-12-20)23(30)7-4-14-34-26-28-22-15-19(25(32)33)10-13-21(22)24(31)29(26)16-17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14,16H2,(H,32,33)