6-methylsulfanyl-3-oxidanidyl-8-phenyl-3-propyl-2,9-dihydropurin-3-ium

Systemtic Name: 6-methylsulfanyl-3-oxidanidyl-8-phenyl-3-propyl-2,9-dihydropurin-3-ium Openeye Name: 6-methylsulfanyl-3-oxido-8-phenyl-3-propyl-2,9-dihydropurin-3-ium CAS Name: 6-(methylthio)-3-oxido-8-phenyl-3-propyl-2,9-dihydropurin-3-ium IUPAC Name: 6-methylsulfanyl-3-oxido-8-phenyl-3-propyl-2,9-dihydropurin-3-ium Traditional Name: 6-(methylthio)-3-oxido-8-phenyl-3-propyl-2,9-dihydropurin-3-ium Formula: C15H18N4OS MolecularWeight: 302.39462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4OS/c1-3-9-19(20)10-16-15(21-2)12-14(19)18-13(17-12)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,17,18)