tert-butyl 3-(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 3-(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)piperidine-1-carboxylate CAS Name: 3-[2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)piperidine-1-carboxylate Traditional Name: 3-[4-keto-2-(methylthio)-1H-pyrimidin-6-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=O)N=C(N2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C2=CC(=O)N=C(N2)SC

InChI

InChI=1S/C15H23N3O3S/c1-15(2,3)21-14(20)18-7-5-6-10(9-18)11-8-12(19)17-13(16-11)22-4/h8,10H,5-7,9H2,1-4H3,(H,16,17,19)