8-heptylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-heptylsulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-heptylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(heptylthio)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(heptylthio)-7-isopropyl-3-methyl-xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H26N4O2S/c1-5-6-7-8-9-10-23-16-17-13-12(20(16)11(2)3)14(21)18-15(22)19(13)4/h11H,5-10H2,1-4H3,(H,18,21,22)