methyl 2-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(8-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(8-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=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

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