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

Systemtic Name: phenethyl 4-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C31H28N4O5S MolecularWeight: 568.64282

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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)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)NC(=O)C4=CC=CC=C4)OC)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C31H28N4O5S/c1-19-26-28(32-18-33-30(26)41-27(19)31(37)40-15-14-20-10-6-4-7-11-20)34-22-16-25(39-3)23(17-24(22)38-2)35-29(36)21-12-8-5-9-13-21/h4-13,16-18H,14-15H2,1-3H3,(H,35,36)(H,32,33,34)