4-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC=NC=C3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC=NC=C3)N

InChI

InChI=1S/C16H14N6O2/c17-13-14(21-11-3-1-10(2-4-11)16(23)24)19-9-20-15(13)22-12-5-7-18-8-6-12/h1-9H,17H2,(H,23,24)(H2,18,19,20,21,22)