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

Systemtic Name: (phenylmethyl) 4-[(4-methoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-(4-methoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-methoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(p-anisidino)thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-14-18-20(25-16-8-10-17(27-2)11-9-16)23-13-24-21(18)29-19(14)22(26)28-12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,23,24,25)