1-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazino]-2-methyl-propan-1-one Formula: C14H19ClN4O2S MolecularWeight: 342.84426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C14H19ClN4O2S/c1-9(2)12(20)18-4-6-19(7-5-18)13(21)11-10(15)8-16-14(17-11)22-3/h8-9H,4-7H2,1-3H3