methyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H16N6O4/c1-31-21(28)14-6-2-3-8-17(14)26-20-18(27(29)30)19(23-12-24-20)25-16-10-4-9-15-13(16)7-5-11-22-15/h2-12H,1H3,(H2,23,24,25,26)