7-hexyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-hexyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-hexyl-8-(isoamylthio)-3-methyl-xanthine Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N4O2S/c1-5-6-7-8-10-21-13-14(20(4)16(23)19-15(13)22)18-17(21)24-11-9-12(2)3/h12H,5-11H2,1-4H3,(H,19,22,23)