3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-amino-2-methyl-pyrimidin-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-amino-2-methyl-5-pyrimidinyl)methylthio]propanoic acid IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-amino-2-methyl-pyrimidin-5-yl)methylthio]propionic acid Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CSCCC(=O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CSCCC(=O)O

InChI

InChI=1S/C9H13N3O2S/c1-6-11-4-7(9(10)12-6)5-15-3-2-8(13)14/h4H,2-3,5H2,1H3,(H,13,14)(H2,10,11,12)