8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-2-oxidanyl-propyl)sulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-(3-chloro-2-hydroxy-propyl)sulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-chloro-2-hydroxypropyl)thio]-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 7-cetyl-8-[(3-chloro-2-hydroxy-propyl)thio]-3-methyl-xanthine Formula: C25H43ClN4O3S MolecularWeight: 515.15192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H43ClN4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-21-22(29(2)24(33)28-23(21)32)27-25(30)34-19-20(31)18-26/h20,31H,3-19H2,1-2H3,(H,28,32,33)