ethyl 4-(3-nitrophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-[2-(2-pyridyl)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[2-(2-pyridinyl)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-[2-(2-pyridyl)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC(=CC=C2)[N+](=O)[O-])NCCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC(=CC=C2)[N+](=O)[O-])NCCC3=CC=CC=N3

InChI

InChI=1S/C20H19N5O4/c1-2-29-19(26)17-13-23-20(22-11-9-15-7-3-4-10-21-15)24-18(17)14-6-5-8-16(12-14)25(27)28/h3-8,10,12-13H,2,9,11H2,1H3,(H,22,23,24)