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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C12H17N3O3S/c16-9-7-10(17)14-12(13-9)19-8-11(18)15-5-3-1-2-4-6-15/h7H,1-6,8H2,(H2,13,14,16,17)