2-hydroxyethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-(2-thenyl)ammonium Formula: C13H18N3OS2+ MolecularWeight: 296.43152

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+](CCO)CC2=CC=CS2

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+](CCO)CC2=CC=CS2

InChI

InChI=1S/C13H17N3OS2/c1-18-13-14-7-11(8-15-13)9-16(4-5-17)10-12-3-2-6-19-12/h2-3,6-8,17H,4-5,9-10H2,1H3/p+1