4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H16N6O2/c18-14-15(20-9-11-2-1-7-19-8-11)21-10-22-16(14)23-13-5-3-12(4-6-13)17(24)25/h1-8,10H,9,18H2,(H,24,25)(H2,20,21,22,23)