3-[5-methyl-2-oxidanylidene-4-[3-(pyridin-2-ylamino)propylamino]pyrimidin-1-yl]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[5-methyl-2-oxidanylidene-4-[3-(pyridin-2-ylamino)propylamino]pyrimidin-1-yl]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[5-methyl-2-oxo-4-[3-(2-pyridylamino)propylamino]pyrimidin-1-yl]-3-(p-tolyl)propanoic acid CAS Name: 3-[5-methyl-2-oxo-4-[3-(2-pyridinylamino)propylamino]-1-pyrimidinyl]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[5-methyl-2-oxo-4-[3-(pyridin-2-ylamino)propylamino]pyrimidin-1-yl]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[2-keto-5-methyl-4-[3-(2-pyridylamino)propylamino]pyrimidin-1-yl]-3-(p-tolyl)propionic acid Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)N2C=C(C(=NC2=O)NCCCNC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)N2C=C(C(=NC2=O)NCCCNC3=CC=CC=N3)C

InChI

InChI=1S/C23H27N5O3/c1-16-7-9-18(10-8-16)19(14-21(29)30)28-15-17(2)22(27-23(28)31)26-13-5-12-25-20-6-3-4-11-24-20/h3-4,6-11,15,19H,5,12-14H2,1-2H3,(H,24,25)(H,29,30)(H,26,27,31)