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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C)C

Isomeric SMILES

CCC[NH+](CCC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C)C

InChI

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