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

Systemtic Name: 1,3-dimethyl-8-octylsulfanyl-2-sulfanylidene-7H-purin-6-one Openeye Name: 1,3-dimethyl-8-octylsulfanyl-2-thioxo-7H-purin-6-one CAS Name: 1,3-dimethyl-8-(octylthio)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 1,3-dimethyl-8-octylsulfanyl-2-sulfanylidene-7H-purin-6-one Traditional Name: 1,3-dimethyl-8-(octylthio)-2-thioxo-7H-purin-6-one Formula: C15H24N4OS2 MolecularWeight: 340.50726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C

InChI

InChI=1S/C15H24N4OS2/c1-4-5-6-7-8-9-10-22-14-16-11-12(17-14)18(2)15(21)19(3)13(11)20/h4-10H2,1-3H3,(H,16,17)