ethyl 4-(3-nitrophenyl)-2-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-[2-(2-pyridylamino)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[2-(2-pyridinylamino)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-[2-(2-pyridylamino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC(=CC=C2)[N+](=O)[O-])NCCNC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC(=CC=C2)[N+](=O)[O-])NCCNC3=CC=CC=N3

InChI

InChI=1S/C20H20N6O4/c1-2-30-19(27)16-13-24-20(23-11-10-22-17-8-3-4-9-21-17)25-18(16)14-6-5-7-15(12-14)26(28)29/h3-9,12-13H,2,10-11H2,1H3,(H,21,22)(H,23,24,25)