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

Systemtic Name: cyclohexyl 4-[(4-benzamido-2,5-diethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(4-benzamido-2,5-diethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-benzamido-2,5-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-benzamido-2,5-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzamido-2,5-diethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C)OCC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC(=C(C=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C)OCC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O5S/c1-4-38-24-17-23(35-29(36)20-12-8-6-9-13-20)25(39-5-2)16-22(24)34-28-26-19(3)27(41-30(26)33-18-32-28)31(37)40-21-14-10-7-11-15-21/h6,8-9,12-13,16-18,21H,4-5,7,10-11,14-15H2,1-3H3,(H,35,36)(H,32,33,34)