(1-methylpyrrol-2-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: (1-methylpyrrol-2-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: (1-methylpyrrol-2-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: (1-methyl-2-pyrrolyl)methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: (1-methylpyrrol-2-yl)methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: (1-methylpyrrol-2-yl)methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH2+]CCCSC2=NC=CC=N2

Isomeric SMILES

CN1C=CC=C1C[NH2+]CCCSC2=NC=CC=N2

InChI

InChI=1S/C13H18N4S/c1-17-9-2-5-12(17)11-14-6-4-10-18-13-15-7-3-8-16-13/h2-3,5,7-9,14H,4,6,10-11H2,1H3/p+1