1-(4-ethoxyphenyl)-2-ethylsulfanyl-6-oxidanyl-3-phenyl-5-propyl-pyrimidin-1-ium-4-one

Systemtic Name: 1-(4-ethoxyphenyl)-2-ethylsulfanyl-6-oxidanyl-3-phenyl-5-propyl-pyrimidin-1-ium-4-one Openeye Name: 1-(4-ethoxyphenyl)-2-ethylsulfanyl-6-hydroxy-3-phenyl-5-propyl-pyrimidin-1-ium-4-one CAS Name: 1-(4-ethoxyphenyl)-2-(ethylthio)-6-hydroxy-3-phenyl-5-propyl-4-pyrimidin-1-iumone IUPAC Name: 1-(4-ethoxyphenyl)-2-ethylsulfanyl-6-hydroxy-3-phenyl-5-propylpyrimidin-1-ium-4-one Traditional Name: 2-(ethylthio)-6-hydroxy-3-phenyl-1-p-phenetyl-5-propyl-pyrimidin-1-ium-4-one Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCC)C3=CC=C(C=C3)OCC)O

Isomeric SMILES

CCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCC)C3=CC=C(C=C3)OCC)O

InChI

InChI=1S/C23H26N2O3S/c1-4-10-20-21(26)24(17-11-8-7-9-12-17)23(29-6-3)25(22(20)27)18-13-15-19(16-14-18)28-5-2/h7-9,11-16H,4-6,10H2,1-3H3/p+1