3-methyl-7-octyl-8-pentylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-3-methyl-7-octyl-xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O2S/c1-4-6-8-9-10-11-13-23-15-16(22(3)18(25)21-17(15)24)20-19(23)26-14-12-7-5-2/h4-14H2,1-3H3,(H,21,24,25)