7-decyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-decyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-8-(2-hydroxyethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 7-decyl-8-(2-hydroxyethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione Traditional Name: 7-decyl-8-(2-hydroxyethylthio)-3-methyl-xanthine Formula: C18H30N4O3S MolecularWeight: 382.5208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H30N4O3S/c1-3-4-5-6-7-8-9-10-11-22-14-15(19-18(22)26-13-12-23)21(2)17(25)20-16(14)24/h23H,3-13H2,1-2H3,(H,20,24,25)