2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H22N3O2S- MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCCCCC2)[O-]

InChI

InChI=1S/C15H23N3O2S/c1-2-7-12-10-13(19)17-15(16-12)21-11-14(20)18-8-5-3-4-6-9-18/h10H,2-9,11H2,1H3,(H,16,17,19)/p-1