cyclohexyl 5-methyl-4-[(4-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 5-methyl-4-[(4-propan-2-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(4-isopropylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-propan-2-ylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-(4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-cumidino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(C)C)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(C)C)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-14(2)16-9-11-17(12-10-16)26-21-19-15(3)20(29-22(19)25-13-24-21)23(27)28-18-7-5-4-6-8-18/h9-14,18H,4-8H2,1-3H3,(H,24,25,26)