(E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-N,N-diethyl-but-2-enamide

Systemtic Name: (E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-N,N-diethyl-but-2-enamide Openeye Name: (E)-4-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-N,N-diethyl-but-2-enamide CAS Name: (E)-4-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]-N,N-diethyl-2-butenamide IUPAC Name: (E)-4-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanyl-N,N-diethylbut-2-enamide Traditional Name: (E)-4-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]-N,N-diethyl-but-2-enamide Formula: C13H20N4OS2 MolecularWeight: 312.4541

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=CCSC1=NC(=CC(=N1)SC)N

Isomeric SMILES

CCN(CC)C(=O)/C=C/CSC1=NC(=CC(=N1)SC)N

InChI

InChI=1S/C13H20N4OS2/c1-4-17(5-2)12(18)7-6-8-20-13-15-10(14)9-11(16-13)19-3/h6-7,9H,4-5,8H2,1-3H3,(H2,14,15,16)/b7-6+