methyl 3-cyclohexyl-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-cyclohexyl-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-cyclohexyl-2-methylsulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-cyclohexyl-2-(methylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-2-methylsulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-cyclohexyl-4-keto-2-(methylthio)quinazoline-7-carboxylic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC)C3CCCCC3

InChI

InChI=1S/C17H20N2O3S/c1-22-16(21)11-8-9-13-14(10-11)18-17(23-2)19(15(13)20)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3