2-[2-(diethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(diethylammonio)ethylsulfanyl]-5-hexyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(diethylammonio)ethylthio]-5-hexyl-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-5-hexyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 2-[2-(diethylammonio)ethylthio]-5-hexyl-6-keto-3-phenyl-pyrimidin-4-olate Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C22H33N3O2S/c1-4-7-8-12-15-19-20(26)23-22(28-17-16-24(5-2)6-3)25(21(19)27)18-13-10-9-11-14-18/h9-11,13-14,27H,4-8,12,15-17H2,1-3H3