ethyl 4-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(methylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C12H17ClN4O2S MolecularWeight: 316.80698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)Cl

InChI

InChI=1S/C12H17ClN4O2S/c1-3-19-12(18)17-6-4-16(5-7-17)10-8-9(13)14-11(15-10)20-2/h8H,3-7H2,1-2H3