8-(4-methylphenyl)-6-methylsulfanyl-3-oxidanidyl-3-propyl-2,9-dihydropurin-3-ium

Systemtic Name: 8-(4-methylphenyl)-6-methylsulfanyl-3-oxidanidyl-3-propyl-2,9-dihydropurin-3-ium Openeye Name: 6-methylsulfanyl-3-oxido-3-propyl-8-(p-tolyl)-2,9-dihydropurin-3-ium CAS Name: 8-(4-methylphenyl)-6-(methylthio)-3-oxido-3-propyl-2,9-dihydropurin-3-ium IUPAC Name: 8-(4-methylphenyl)-6-methylsulfanyl-3-oxido-3-propyl-2,9-dihydropurin-3-ium Traditional Name: 6-(methylthio)-3-oxido-3-propyl-8-(p-tolyl)-2,9-dihydropurin-3-ium Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4OS/c1-4-9-20(21)10-17-16(22-3)13-15(20)19-14(18-13)12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,18,19)