2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazino]acetic acid Formula: C12H15ClN4O3S MolecularWeight: 330.7905

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)O)Cl

InChI

InChI=1S/C12H15ClN4O3S/c1-21-12-14-6-8(13)10(15-12)11(20)17-4-2-16(3-5-17)7-9(18)19/h6H,2-5,7H2,1H3,(H,18,19)