tert-butyl 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C15H21ClN4O3S MolecularWeight: 372.87024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN4O3S/c1-15(2,3)23-14(22)20-7-5-19(6-8-20)12(21)11-10(16)9-17-13(18-11)24-4/h9H,5-8H2,1-4H3