(E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-but-2-en-1-one

Systemtic Name: (E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-but-2-en-1-one Openeye Name: (E)-4-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-but-2-en-1-one CAS Name: (E)-4-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)-2-buten-1-one IUPAC Name: (E)-4-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylbut-2-en-1-one Traditional Name: (E)-4-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]-1-pyrrolidino-but-2-en-1-one Formula: C13H18N4OS2 MolecularWeight: 310.43822

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1)N)SCC=CC(=O)N2CCCC2

Isomeric SMILES

CSC1=NC(=NC(=C1)N)SC/C=C/C(=O)N2CCCC2

InChI

InChI=1S/C13H18N4OS2/c1-19-11-9-10(14)15-13(16-11)20-8-4-5-12(18)17-6-2-3-7-17/h4-5,9H,2-3,6-8H2,1H3,(H2,14,15,16)/b5-4+