1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 8-(isoamylthio)-1,3,7-trimethyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20N4O2S/c1-8(2)6-7-20-12-14-10-9(15(12)3)11(18)17(5)13(19)16(10)4/h8H,6-7H2,1-5H3