diethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Openeye Name: diethyl-[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]ammonium CAS Name: diethyl-[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Traditional Name: diethyl-[2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]ethyl]ammonium Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O

InChI

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