2-(pyrimidin-4-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(pyrimidin-4-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(pyrimidin-4-ylmethylsulfanyl)propanoic acid CAS Name: 2-(4-pyrimidinylmethylthio)propanoic acid IUPAC Name: 2-(pyrimidin-4-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(4-pyrimidylmethylthio)propionic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC=NC=C1

Isomeric SMILES

CC(C(=O)O)SCC1=NC=NC=C1

InChI

InChI=1S/C8H10N2O2S/c1-6(8(11)12)13-4-7-2-3-9-5-10-7/h2-3,5-6H,4H2,1H3,(H,11,12)