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

Systemtic Name: diethyl-[2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-diethyl-ammonium CAS Name: diethyl-[2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]ethyl]ammonium IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl-diethylazanium Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]ethyl-diethyl-ammonium Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O

InChI

InChI=1S/C17H23N3O2S/c1-3-20(4-2)10-11-23-17-18-15(21)14(16(22)19-17)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,18,19,21,22)/p+1