4-[[5-azanyl-6-[(6-methylpyridin-2-yl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[(6-methylpyridin-2-yl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-[(6-methyl-2-pyridyl)amino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-[(6-methyl-2-pyridinyl)amino]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-[(6-methylpyridin-2-yl)amino]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-[(6-methyl-2-pyridyl)amino]pyrimidin-4-yl]amino]benzoic acid Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H16N6O2/c1-10-3-2-4-13(21-10)23-16-14(18)15(19-9-20-16)22-12-7-5-11(6-8-12)17(24)25/h2-9H,18H2,1H3,(H,24,25)(H2,19,20,21,22,23)