2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C14H21N3O3S/c1-2-10-12(19)15-14(16-13(10)20)21-9-11(18)17-7-5-3-4-6-8-17/h2-9H2,1H3,(H2,15,16,19,20)