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

Systemtic Name: cyclohexyl 5-methyl-4-[(3-methylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-(3-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-methylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-(3-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(m-toluidino)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C21H23N3O2S/c1-13-7-6-8-15(11-13)24-19-17-14(2)18(27-20(17)23-12-22-19)21(25)26-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,22,23,24)