9-[6-(methylamino)pyridin-2-yl]-2-(2-methylpyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-[6-(methylamino)pyridin-2-yl]-2-(2-methylpyrimidin-5-yl)nonanoic acid Openeye Name: 9-[6-(methylamino)-2-pyridyl]-2-(2-methylpyrimidin-5-yl)nonanoic acid CAS Name: 9-[6-(methylamino)-2-pyridinyl]-2-(2-methyl-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-[6-(methylamino)pyridin-2-yl]-2-(2-methylpyrimidin-5-yl)nonanoic acid Traditional Name: 9-[6-(methylamino)-2-pyridyl]-2-(2-methylpyrimidin-5-yl)pelargonic acid Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CCCCCCCC2=NC(=CC=C2)NC)C(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCCCCCCC2=NC(=CC=C2)NC)C(=O)O

InChI

InChI=1S/C20H28N4O2/c1-15-22-13-16(14-23-15)18(20(25)26)11-7-5-3-4-6-9-17-10-8-12-19(21-2)24-17/h8,10,12-14,18H,3-7,9,11H2,1-2H3,(H,21,24)(H,25,26)