8-(furan-2-yl)-6-methylsulfanyl-3-oxidanidyl-3-propyl-2,9-dihydropurin-3-ium

Systemtic Name: 8-(furan-2-yl)-6-methylsulfanyl-3-oxidanidyl-3-propyl-2,9-dihydropurin-3-ium Openeye Name: 8-(2-furyl)-6-methylsulfanyl-3-oxido-3-propyl-2,9-dihydropurin-3-ium CAS Name: 8-(2-furanyl)-6-(methylthio)-3-oxido-3-propyl-2,9-dihydropurin-3-ium IUPAC Name: 8-(furan-2-yl)-6-methylsulfanyl-3-oxido-3-propyl-2,9-dihydropurin-3-ium Traditional Name: 8-(2-furyl)-6-(methylthio)-3-oxido-3-propyl-2,9-dihydropurin-3-ium Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CN=C(C2=C1NC(=N2)C3=CC=CO3)SC)[O-]

Isomeric SMILES

CCC[N+]1(CN=C(C2=C1NC(=N2)C3=CC=CO3)SC)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-3-6-17(18)8-14-13(20-2)10-12(17)16-11(15-10)9-5-4-7-19-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)