(E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylbut-2-enoic acid

Systemtic Name: (E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylbut-2-enoic acid Openeye Name: (E)-4-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylbut-2-enoic acid CAS Name: (E)-4-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]-2-butenoic acid IUPAC Name: (E)-4-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylbut-2-enoic acid Traditional Name: (E)-4-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]but-2-enoic acid Formula: C9H11N3O2S2 MolecularWeight: 257.33254

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1)N)SCC=CC(=O)O

Isomeric SMILES

CSC1=NC(=NC(=C1)N)SC/C=C/C(=O)O

InChI

InChI=1S/C9H11N3O2S2/c1-15-7-5-6(10)11-9(12-7)16-4-2-3-8(13)14/h2-3,5H,4H2,1H3,(H,13,14)(H2,10,11,12)/b3-2+