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

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-3-cyclohexyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-3-cyclohexyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3CCCCC3

InChI

InChI=1S/C18H19N3O3S/c1-24-17(23)12-7-8-14-15(11-12)20-18(25-10-9-19)21(16(14)22)13-5-3-2-4-6-13/h7-8,11,13H,2-6,10H2,1H3