2-methylpropyl 2-(diphenylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 2-(diphenylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-benzhydryl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(diphenylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-benzhydryl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzhydryl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC(C)C

InChI

InChI=1S/C25H24N2O3S/c1-15(2)14-30-25(29)21-16(3)19-23(28)26-22(27-24(19)31-21)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,20H,14H2,1-3H3,(H,26,27,28)