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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCC2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCC2)NC3=CC=C(C=C3)C(=O)O

InChI

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