ethyl 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzoate

Systemtic Name: ethyl 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzoate Openeye Name: ethyl 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzoate CAS Name: 4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzoate Traditional Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzoic acid ethyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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