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

Systemtic Name: (E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-piperidin-1-yl-but-2-en-1-one Openeye Name: (E)-4-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-(1-piperidyl)but-2-en-1-one CAS Name: (E)-4-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]-1-(1-piperidinyl)-2-buten-1-one IUPAC Name: (E)-4-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanyl-1-piperidin-1-ylbut-2-en-1-one Traditional Name: (E)-4-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]-1-piperidino-but-2-en-1-one Formula: C14H20N4OS2 MolecularWeight: 324.4648

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1)N)SCC=CC(=O)N2CCCCC2

Isomeric SMILES

CSC1=NC(=NC(=C1)N)SC/C=C/C(=O)N2CCCCC2

InChI

InChI=1S/C14H20N4OS2/c1-20-12-10-11(15)16-14(17-12)21-9-5-6-13(19)18-7-3-2-4-8-18/h5-6,10H,2-4,7-9H2,1H3,(H2,15,16,17)/b6-5+