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

Systemtic Name: (phenylmethyl) 2-(diphenylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C28H22N2O3S MolecularWeight: 466.55088

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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)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H22N2O3S/c1-18-22-26(31)29-25(23(20-13-7-3-8-14-20)21-15-9-4-10-16-21)30-27(22)34-24(18)28(32)33-17-19-11-5-2-6-12-19/h2-16,23H,17H2,1H3,(H,29,30,31)