(4-azanyl-2-methylsulfanyl-pyrimidin-5-yl)methyl-(1,3-benzodioxol-5-ylmethyl)azanium

Systemtic Name: (4-azanyl-2-methylsulfanyl-pyrimidin-5-yl)methyl-(1,3-benzodioxol-5-ylmethyl)azanium Openeye Name: (4-amino-2-methylsulfanyl-pyrimidin-5-yl)methyl-(1,3-benzodioxol-5-ylmethyl)ammonium CAS Name: [4-amino-2-(methylthio)-5-pyrimidinyl]methyl-(1,3-benzodioxol-5-ylmethyl)ammonium IUPAC Name: (4-amino-2-methylsulfanylpyrimidin-5-yl)methyl-(1,3-benzodioxol-5-ylmethyl)azanium Traditional Name: [4-amino-2-(methylthio)pyrimidin-5-yl]methyl-piperonyl-ammonium Formula: C14H17N4O2S+ MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N)C[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NC=C(C(=N1)N)C[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16N4O2S/c1-21-14-17-7-10(13(15)18-14)6-16-5-9-2-3-11-12(4-9)20-8-19-11/h2-4,7,16H,5-6,8H2,1H3,(H2,15,17,18)/p+1