methyl 2-[[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

InChI

InChI=1S/C27H22N4O4S/c1-15-7-6-8-16(2)23(15)31-25(33)19-9-4-5-10-20(19)29-27(31)36-14-22-28-21-13-17(26(34)35-3)11-12-18(21)24(32)30-22/h4-13H,14H2,1-3H3,(H,28,30,32)