methyl 2-(2-cyanoethylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-cyanoethylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-cyanoethylsulfanyl)-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(2-cyanoethylthio)-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-cyanoethylsulfanyl)-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(2-cyanoethylthio)-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCC#N

InChI

InChI=1S/C17H19N3O3S/c1-11(2)10-20-15(21)13-6-5-12(16(22)23-3)9-14(13)19-17(20)24-8-4-7-18/h5-6,9,11H,4,8,10H2,1-3H3