2-(cyanomethylsulfanyl)-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxylic acid

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxylic acid Openeye Name: 2-(cyanomethylsulfanyl)-3-(2,3-dimethylphenyl)-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-(cyanomethylthio)-3-(2,3-dimethylphenyl)-4-oxo-7-quinazolinecarboxylic acid IUPAC Name: 2-(cyanomethylsulfanyl)-3-(2,3-dimethylphenyl)-4-oxoquinazoline-7-carboxylic acid Traditional Name: 2-(cyanomethylthio)-3-(2,3-dimethylphenyl)-4-keto-quinazoline-7-carboxylic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)N=C2SCC#N)C

InChI

InChI=1S/C19H15N3O3S/c1-11-4-3-5-16(12(11)2)22-17(23)14-7-6-13(18(24)25)10-15(14)21-19(22)26-9-8-20/h3-7,10H,9H2,1-2H3,(H,24,25)