2-[1-(2-chlorophenyl)carbonyl-6-oxidanyl-4-oxidanylidene-5-propyl-pyrimidin-2-yl]sulfanylethyl-diethyl-azanium

Systemtic Name: 2-[1-(2-chlorophenyl)carbonyl-6-oxidanyl-4-oxidanylidene-5-propyl-pyrimidin-2-yl]sulfanylethyl-diethyl-azanium Openeye Name: 2-[1-(2-chlorobenzoyl)-6-hydroxy-4-oxo-5-propyl-pyrimidin-2-yl]sulfanylethyl-diethyl-ammonium CAS Name: 2-[[1-[(2-chlorophenyl)-oxomethyl]-6-hydroxy-4-oxo-5-propyl-2-pyrimidinyl]thio]ethyl-diethylammonium IUPAC Name: 2-[1-(2-chlorobenzoyl)-6-hydroxy-4-oxo-5-propylpyrimidin-2-yl]sulfanylethyl-diethylazanium Traditional Name: 2-[[1-(2-chlorobenzoyl)-6-hydroxy-4-keto-5-propyl-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C20H27ClN3O3S+ MolecularWeight: 424.96468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2Cl)O

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C(=O)C2=CC=CC=C2Cl)O

InChI

InChI=1S/C20H26ClN3O3S/c1-4-9-15-17(25)22-20(28-13-12-23(5-2)6-3)24(19(15)27)18(26)14-10-7-8-11-16(14)21/h7-8,10-11,27H,4-6,9,12-13H2,1-3H3/p+1