2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-pentyl-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-5-pentyl-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-6-oxo-5-pentyl-3-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(dimethylammonio)ethylthio]-6-oxo-5-pentyl-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxo-5-pentyl-3-phenylpyrimidin-4-olate Traditional Name: 5-amyl-2-[2-(dimethylammonio)ethylthio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](C)C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCC[NH+](C)C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C19H27N3O2S/c1-4-5-7-12-16-17(23)20-19(25-14-13-21(2)3)22(18(16)24)15-10-8-6-9-11-15/h6,8-11,24H,4-5,7,12-14H2,1-3H3