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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c16-10-5-6-13-12(14-10)18-9-11(17)15-7-3-1-2-4-8-15/h5-6H,1-4,7-9H2,(H,13,14,16)