(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH2+]CCCSC3=NC=CC=N3)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH2+]CCCSC3=NC=CC=N3)N(C1=O)C

InChI

InChI=1S/C17H21N5OS/c1-21-14-6-5-13(11-15(14)22(2)17(21)23)12-18-7-4-10-24-16-19-8-3-9-20-16/h3,5-6,8-9,11,18H,4,7,10,12H2,1-2H3/p+1