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

Systemtic Name: 2-methylpropyl 5-methyl-4-[(4-phenylmethoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-benzyloxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenylmethoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-methyl-4-(4-phenylmethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-16(2)13-31-25(29)22-17(3)21-23(26-15-27-24(21)32-22)28-19-9-11-20(12-10-19)30-14-18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,26,27,28)