3-methyl-6-methylsulfanyl-7H-purin-3-ium

Systemtic Name: 3-methyl-6-methylsulfanyl-7H-purin-3-ium Openeye Name: 3-methyl-6-methylsulfanyl-7H-purin-3-ium CAS Name: 3-methyl-6-(methylthio)-7H-purin-3-ium IUPAC Name: 3-methyl-6-methylsulfanyl-7H-purin-3-ium Traditional Name: 3-methyl-6-(methylthio)-7H-purin-3-ium Formula: C7H9N4S+ MolecularWeight: 181.23816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C(N=C1)SC)NC=N2

Isomeric SMILES

C[N+]1=C2C(=C(N=C1)SC)NC=N2

InChI

InChI=1S/C7H8N4S/c1-11-4-10-7(12-2)5-6(11)9-3-8-5/h3-4H,1-2H3/p+1