3-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[2-methyl-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(2-methyl-6-piperidino-pyrimidin-4-yl)amino]benzoic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)O)N3CCCCC3

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)O)N3CCCCC3

InChI

InChI=1S/C17H20N4O2/c1-12-18-15(11-16(19-12)21-8-3-2-4-9-21)20-14-7-5-6-13(10-14)17(22)23/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23)(H,18,19,20)