diethyl-[[4-oxidanyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]methyl]azanium

Systemtic Name: diethyl-[[4-oxidanyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]methyl]azanium Openeye Name: (2-benzylsulfanyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl-diethyl-ammonium CAS Name: diethyl-[[4-hydroxy-6-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]methyl]ammonium IUPAC Name: (2-benzylsulfanyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl-diethylazanium Traditional Name: [2-(benzylthio)-4-hydroxy-6-keto-1H-pyrimidin-5-yl]methyl-diethyl-ammonium Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)CC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C16H21N3O2S/c1-3-19(4-2)10-13-14(20)17-16(18-15(13)21)22-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21)/p+1