8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-heptylsulfanyl-1,3-dimethyl-6-thioxo-7H-purin-2-one CAS Name: 8-(heptylthio)-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-(heptylthio)-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C14H22N4OS2 MolecularWeight: 326.48068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

InChI

InChI=1S/C14H22N4OS2/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(19)18(3)12(10)20/h4-9H2,1-3H3,(H,15,16)