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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-propyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-hydroxy-5-propyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-hydroxy-5-propyl-1H-pyrimidin-6-one Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C15H23N3O3S/c1-2-7-11-13(20)16-15(17-14(11)21)22-10-12(19)18-8-5-3-4-6-9-18/h2-10H2,1H3,(H2,16,17,20,21)