2-[(2-azanylpyrimidin-5-yl)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(2-azanylpyrimidin-5-yl)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(2-aminopyrimidin-5-yl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(2-amino-5-pyrimidinyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(2-aminopyrimidin-5-yl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(2-aminopyrimidin-5-yl)propionic acid Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CN=C(N=C1)N)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CN=C(N=C1)N)C(=O)O

InChI

InChI=1S/C10H13N3O3S/c1-6(14)17-5-8(9(15)16)2-7-3-12-10(11)13-4-7/h3-4,8H,2,5H2,1H3,(H,15,16)(H2,11,12,13)