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

Systemtic Name: 2-[[6-(cyclohexylamino)-2-methyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[6-(cyclohexylamino)-2-methyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[6-(cyclohexylamino)-2-methyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[6-(cyclohexylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[6-(cyclohexylamino)-2-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2CCCCC2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=NC(=CC(=N1)NC2CCCCC2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H22N4O2/c1-12-19-16(21-13-7-3-2-4-8-13)11-17(20-12)22-15-10-6-5-9-14(15)18(23)24/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,23,24)(H2,19,20,21,22)