ethyl 3-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-nitro-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c1-2-28-18(25)12-4-3-5-14(10-12)23-17-15(24(26)27)16(20-11-21-17)22-13-6-8-19-9-7-13/h3-11H,2H2,1H3,(H2,19,20,21,22,23)