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

Systemtic Name: 1,3-dimethyl-8-pentylsulfanyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-pentylsulfanyl-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-(pentylthio)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-pentylsulfanyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-(amylthio)-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C12H18N4OS2 MolecularWeight: 298.42752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(17)16(3)10(8)18/h4-7H2,1-3H3,(H,13,14)