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

Systemtic Name: (E)-4-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-4-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-4-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]-1-(4-methyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-4-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-4-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]-1-(4-methylpiperazino)but-2-en-1-one Formula: C14H21N5OS2 MolecularWeight: 339.47944

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C=CCSC2=NC(=CC(=N2)SC)N

Isomeric SMILES

CN1CCN(CC1)C(=O)/C=C/CSC2=NC(=CC(=N2)SC)N

InChI

InChI=1S/C14H21N5OS2/c1-18-5-7-19(8-6-18)13(20)4-3-9-22-14-16-11(15)10-12(17-14)21-2/h3-4,10H,5-9H2,1-2H3,(H2,15,16,17)/b4-3+