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

Systemtic Name: cyclohexyl 5-methyl-4-[(3-nitrophenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(3-nitroanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-nitroanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-12-16-18(23-13-6-5-7-14(10-13)24(26)27)21-11-22-19(16)29-17(12)20(25)28-15-8-3-2-4-9-15/h5-7,10-11,15H,2-4,8-9H2,1H3,(H,21,22,23)