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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)N2CCCCCC2)C

InChI

InChI=1S/C14H21N3O2S/c1-10-11(2)15-14(16-13(10)19)20-9-12(18)17-7-5-3-4-6-8-17/h3-9H2,1-2H3,(H,15,16,19)