methyl 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4CCCC4)C

InChI

InChI=1S/C21H24N4O3S/c1-12-13(2)25(15-6-4-5-7-15)21(22-12)29-11-18-23-17-10-14(20(27)28-3)8-9-16(17)19(26)24-18/h8-10,15H,4-7,11H2,1-3H3,(H,23,24,26)