ethyl 4-(4-aminocarbonylphenyl)-6-ethyl-2-[2-[(3-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-aminocarbonylphenyl)-6-ethyl-2-[2-[(3-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-carbamoylphenyl)-6-ethyl-2-[2-[(3-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-carbamoylphenyl)-6-ethyl-2-[2-[(3-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-carbamoylphenyl)-6-ethyl-2-[2-[(3-nitropyridin-2-yl)amino]ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-carbamoylphenyl)-6-ethyl-2-[2-[(3-nitro-2-pyridyl)amino]ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N7O5 MolecularWeight: 479.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1C(=O)OCC)C2=CC=C(C=C2)C(=O)N)NCCNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NC(=C1C(=O)OCC)C2=CC=C(C=C2)C(=O)N)NCCNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O5/c1-3-16-18(22(32)35-4-2)19(14-7-9-15(10-8-14)20(24)31)29-23(28-16)27-13-12-26-21-17(30(33)34)6-5-11-25-21/h5-11H,3-4,12-13H2,1-2H3,(H2,24,31)(H,25,26)(H,27,28,29)