8-heptylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione

Systemtic Name: 8-heptylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-heptylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(heptylthio)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(heptylthio)-3-methyl-7-nonyl-xanthine Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H38N4O2S/c1-4-6-8-10-11-12-14-16-26-18-19(25(3)21(28)24-20(18)27)23-22(26)29-17-15-13-9-7-5-2/h4-17H2,1-3H3,(H,24,27,28)