methyl 2-(cyanomethylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-3-[2-(1-cyclohexenyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CCCCC3

InChI

InChI=1S/C20H21N3O3S/c1-26-19(25)15-7-8-16-17(13-15)22-20(27-12-10-21)23(18(16)24)11-9-14-5-3-2-4-6-14/h5,7-8,13H,2-4,6,9,11-12H2,1H3