methyl 3-butyl-2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-(1-cyanoethylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-(1-cyanoethylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-(1-cyanoethylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-(1-cyanoethylthio)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C#N

InChI

InChI=1S/C17H19N3O3S/c1-4-5-8-20-15(21)13-7-6-12(16(22)23-3)9-14(13)19-17(20)24-11(2)10-18/h6-7,9,11H,4-5,8H2,1-3H3