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

Systemtic Name: cyclohexyl 5-methyl-4-[(2-methyl-5-nitro-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methyl-5-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-(2-methyl-5-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-methyl-5-nitro-anilino)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C3C(=C(SC3=NC=N2)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C21H22N4O4S/c1-12-8-9-14(25(27)28)10-16(12)24-19-17-13(2)18(30-20(17)23-11-22-19)21(26)29-15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,22,23,24)