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

Systemtic Name: cyclohexyl 5-methyl-4-[(3-propoxycarbonylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-(3-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-[oxo(propoxy)methyl]anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-(3-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-propoxycarbonylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-3-12-30-23(28)16-8-7-9-17(13-16)27-21-19-15(2)20(32-22(19)26-14-25-21)24(29)31-18-10-5-4-6-11-18/h7-9,13-14,18H,3-6,10-12H2,1-2H3,(H,25,26,27)