methyl 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S/c1-13-11-19(24-14(2)23-13)30-22-25-18-12-15(21(28)29-3)9-10-17(18)20(27)26(22)16-7-5-4-6-8-16/h4-12H,1-3H3