1,3-dimethyl-8-pentan-2-ylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-pentan-2-ylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(1-methylbutylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(pentan-2-ylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-pentan-2-ylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(1-methylbutylthio)-7H-purine-2,6-quinone Formula: C12H18N4O2S MolecularWeight: 282.36192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O2S/c1-5-6-7(2)19-11-13-8-9(14-11)15(3)12(18)16(4)10(8)17/h7H,5-6H2,1-4H3,(H,13,14)