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

Systemtic Name: cyclohexyl 4-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C29H30N4O5S MolecularWeight: 546.6373

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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)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3OC)NC(=O)C4=CC=CC=C4)OC)C(=O)OC5CCCCC5

InChI

InChI=1S/C29H30N4O5S/c1-17-24-26(30-16-31-28(24)39-25(17)29(35)38-19-12-8-5-9-13-19)32-20-14-23(37-3)21(15-22(20)36-2)33-27(34)18-10-6-4-7-11-18/h4,6-7,10-11,14-16,19H,5,8-9,12-13H2,1-3H3,(H,33,34)(H,30,31,32)