dimethyl 5-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-(8-quinolinylamino)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H18N6O6 MolecularWeight: 474.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)C(=O)OC

InChI

InChI=1S/C23H18N6O6/c1-34-22(30)14-9-15(23(31)35-2)11-16(10-14)27-20-19(29(32)33)21(26-12-25-20)28-17-7-3-5-13-6-4-8-24-18(13)17/h3-12H,1-2H3,(H2,25,26,27,28)