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

Systemtic Name: phenethyl 4-[(4-benzamido-2,5-diethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C33H32N4O5S MolecularWeight: 596.69598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C)OCC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC(=C(C=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C)OCC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H32N4O5S/c1-4-40-26-19-25(37-31(38)23-14-10-7-11-15-23)27(41-5-2)18-24(26)36-30-28-21(3)29(43-32(28)35-20-34-30)33(39)42-17-16-22-12-8-6-9-13-22/h6-15,18-20H,4-5,16-17H2,1-3H3,(H,37,38)(H,34,35,36)