methyl 3-butyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-(cyanomethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-(cyanomethylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-(cyanomethylthio)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC#N

InChI

InChI=1S/C16H17N3O3S/c1-3-4-8-19-14(20)12-6-5-11(15(21)22-2)10-13(12)18-16(19)23-9-7-17/h5-6,10H,3-4,8-9H2,1-2H3