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

Systemtic Name: methyl 2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-benzyl-5-methyl-1H-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=C(N=C(N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-13-17(10-14-6-4-3-5-7-14)25-22(23-13)30-12-19-24-18-11-15(21(28)29-2)8-9-16(18)20(27)26-19/h3-9,11H,10,12H2,1-2H3,(H,23,25)(H,24,26,27)