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

Systemtic Name: tert-butyl 4-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)piperidine-1-carboxylate CAS Name: 4-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)piperidine-1-carboxylate Traditional Name: 4-(4-keto-2-thioxo-1H-pyrimidin-6-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)NC(=S)N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)NC(=S)N2

InChI

InChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-6-4-9(5-7-17)10-8-11(18)16-12(21)15-10/h8-9H,4-7H2,1-3H3,(H2,15,16,18,21)