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

Systemtic Name: ethyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-quinolin-3-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-(3-quinolyl)pyrimidine-5-carboxylate CAS Name: 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-(3-quinolinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-4-quinolin-3-ylpyrimidine-5-carboxylate Traditional Name: 2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-4-(3-quinolyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N7O4 MolecularWeight: 459.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC3=CC=CC=C3N=C2)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC3=CC=CC=C3N=C2)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O4/c1-2-34-22(31)18-14-28-23(25-10-9-24-20-8-7-17(13-27-20)30(32)33)29-21(18)16-11-15-5-3-4-6-19(15)26-12-16/h3-8,11-14H,2,9-10H2,1H3,(H,24,27)(H,25,28,29)