8-butan-2-ylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-butan-2-ylsulfanyl-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-(sec-butylthio)xanthine Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C

InChI

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