2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C15H22N3O2S- MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N2CCCCCC2)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N2CCCCCC2)[O-])C

InChI

InChI=1S/C15H23N3O2S/c1-3-12-11(2)14(20)17-15(16-12)21-10-13(19)18-8-6-4-5-7-9-18/h3-10H2,1-2H3,(H,16,17,20)/p-1