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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(8-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H18N6O4/c1-27(17-11-4-3-9-15(17)22(29)32-2)21-19(28(30)31)20(24-13-25-21)26-16-10-5-7-14-8-6-12-23-18(14)16/h3-13H,1-2H3,(H,24,25,26)