(5S)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-(phenylmethyl)-1H-pyrimidine-4,6-dione

Systemtic Name: (5S)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5-(phenylmethyl)-1H-pyrimidine-4,6-dione Openeye Name: (5S)-5-benzyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1H-pyrimidine-4,6-dione CAS Name: (5S)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5-(phenylmethyl)-1H-pyrimidine-4,6-dione IUPAC Name: (5S)-5-benzyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidine-4,6-dione Traditional Name: (5S)-5-benzyl-2-[(2-keto-2-piperidino-ethyl)thio]-1H-pyrimidine-4,6-quinone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)C(C(=O)N2)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)[C@H](C(=O)N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-15(21-9-5-2-6-10-21)12-25-18-19-16(23)14(17(24)20-18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,20,23,24)