ethyl 2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[(6-azanyl-5-nitro-pyridin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethylamino]-4-(4-cyanophenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-amino-5-nitropyridin-2-yl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylate Traditional Name: 2-[2-[(6-amino-5-nitro-2-pyridyl)amino]ethylamino]-4-(4-cyanophenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N8O4 MolecularWeight: 448.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC(=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=NC(=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H20N8O4/c1-2-33-20(30)15-12-26-21(28-18(15)14-5-3-13(11-22)4-6-14)25-10-9-24-17-8-7-16(29(31)32)19(23)27-17/h3-8,12H,2,9-10H2,1H3,(H3,23,24,27)(H,25,26,28)