3-(2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)propanoic acid

Systemtic Name: 3-(2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)propanoic acid Openeye Name: 3-(2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)propanoic acid CAS Name: 3-[2,5-dimethyl-1-(2-pyrimidinyl)-3-pyrrolyl]propanoic acid IUPAC Name: 3-(2,5-dimethyl-1-pyrimidin-2-ylpyrrol-3-yl)propanoic acid Traditional Name: 3-[2,5-dimethyl-1-(2-pyrimidyl)pyrrol-3-yl]propionic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CC=N2)C)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CC=N2)C)CCC(=O)O

InChI

InChI=1S/C13H15N3O2/c1-9-8-11(4-5-12(17)18)10(2)16(9)13-14-6-3-7-15-13/h3,6-8H,4-5H2,1-2H3,(H,17,18)