diethyl-[2-(5-heptyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium

Systemtic Name: diethyl-[2-(5-heptyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethyl]azanium Openeye Name: diethyl-[2-(5-heptyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylethyl]ammonium CAS Name: diethyl-[2-[(5-heptyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-(5-heptyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]azanium Traditional Name: diethyl-[2-[(5-heptyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C23H36N3O2S+ MolecularWeight: 418.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C23H35N3O2S/c1-4-7-8-9-13-16-20-21(27)24-23(29-18-17-25(5-2)6-3)26(22(20)28)19-14-11-10-12-15-19/h10-12,14-15,28H,4-9,13,16-18H2,1-3H3/p+1