2-(6-oxidanyl-4-oxidanylidene-1-phenyl-5-propyl-pyrimidin-2-yl)sulfanylethyl-dipropyl-azanium

Systemtic Name: 2-(6-oxidanyl-4-oxidanylidene-1-phenyl-5-propyl-pyrimidin-2-yl)sulfanylethyl-dipropyl-azanium Openeye Name: 2-(6-hydroxy-4-oxo-1-phenyl-5-propyl-pyrimidin-2-yl)sulfanylethyl-dipropyl-ammonium CAS Name: 2-[(6-hydroxy-4-oxo-1-phenyl-5-propyl-2-pyrimidinyl)thio]ethyl-dipropylammonium IUPAC Name: 2-(6-hydroxy-4-oxo-1-phenyl-5-propylpyrimidin-2-yl)sulfanylethyl-dipropylazanium Traditional Name: 2-[(6-hydroxy-4-keto-1-phenyl-5-propyl-pyrimidin-2-yl)thio]ethyl-dipropyl-ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCC[NH+](CCC)CCC)C2=CC=CC=C2)O

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCC[NH+](CCC)CCC)C2=CC=CC=C2)O

InChI

InChI=1S/C21H31N3O2S/c1-4-10-18-19(25)22-21(27-16-15-23(13-5-2)14-6-3)24(20(18)26)17-11-8-7-9-12-17/h7-9,11-12,26H,4-6,10,13-16H2,1-3H3/p+1