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

Systemtic Name: methyl 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C22H20N4O3S/c1-13-4-7-18(14(2)10-13)26-9-8-23-22(26)30-12-19-24-17-11-15(21(28)29-3)5-6-16(17)20(27)25-19/h4-11H,12H2,1-3H3,(H,24,25,27)