4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(5-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C20H14N6O4 MolecularWeight: 402.36296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H14N6O4/c27-20(28)12-6-8-13(9-7-12)24-18-17(26(29)30)19(23-11-22-18)25-16-5-1-4-15-14(16)3-2-10-21-15/h1-11H,(H,27,28)(H2,22,23,24,25)