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

Systemtic Name: (phenylmethyl) 5-methyl-4-oxidanylidene-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-benzyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c1-14-18-20(25)23-17(12-15-8-4-2-5-9-15)24-21(18)28-19(14)22(26)27-13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,23,24,25)