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

Systemtic Name: 2-methylpropyl 4-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(4-benzamido-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-benzamido-2,5-dimethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-benzamido-2,5-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzamido-2,5-dimethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)NC(=O)C4=CC=CC=C4)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)NC(=O)C4=CC=CC=C4)OC)C(=O)OCC(C)C

InChI

InChI=1S/C27H28N4O5S/c1-15(2)13-36-27(33)23-16(3)22-24(28-14-29-26(22)37-23)30-18-11-21(35-5)19(12-20(18)34-4)31-25(32)17-9-7-6-8-10-17/h6-12,14-15H,13H2,1-5H3,(H,31,32)(H,28,29,30)