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

Systemtic Name: 1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,3-dimethyl-8-(1-methylbutylsulfanyl)-6-thioxo-7H-purin-2-one CAS Name: 1,3-dimethyl-8-(pentan-2-ylthio)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,3-dimethyl-8-pentan-2-ylsulfanyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,3-dimethyl-8-(1-methylbutylthio)-6-thioxo-7H-purin-2-one Formula: C12H18N4OS2 MolecularWeight: 298.42752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

Isomeric SMILES

CCCC(C)SC1=NC2=C(N1)C(=S)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4OS2/c1-5-6-7(2)19-11-13-8-9(14-11)15(3)12(17)16(4)10(8)18/h7H,5-6H2,1-4H3,(H,13,14)