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

Systemtic Name: cyclohexyl 4-[(4-methoxy-3-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 4-(4-methoxy-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-methoxy-3-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(4-methoxy-3-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-methoxy-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C21H22N4O5S/c1-12-17-19(24-13-8-9-16(29-2)15(10-13)25(27)28)22-11-23-20(17)31-18(12)21(26)30-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,22,23,24)