tert-butyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N4O4S/c1-12-13(15(24)20-16(19-12)27-5)6-7-14(23)21-8-10-22(11-9-21)17(25)26-18(2,3)4/h6-11H2,1-5H3,(H,19,20,24)