methyl 2-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(1-cyclohexyl-2-benzimidazolyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(1-cyclohexylbenzimidazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3C5CCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NC4=CC=CC=C4N3C5CCCCC5

InChI

InChI=1S/C24H24N4O3S/c1-31-23(30)15-11-12-17-19(13-15)25-21(27-22(17)29)14-32-24-26-18-9-5-6-10-20(18)28(24)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,25,27,29)