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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 3-[(4-isopropylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[(4-propan-2-ylphenyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-oxo-3-[(4-propan-2-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-isopropylbenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4

InChI

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