8-[(2R)-3-chloranyl-2-oxidanyl-propyl]sulfanyl-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[(2R)-3-chloranyl-2-oxidanyl-propyl]sulfanyl-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(2R)-3-chloro-2-hydroxy-propyl]sulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[[(2R)-3-chloro-2-hydroxypropyl]thio]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2R)-3-chloro-2-hydroxypropyl]sulfanyl-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[[(2R)-3-chloro-2-hydroxy-propyl]thio]-3-methyl-7-octyl-xanthine Formula: C17H27ClN4O3S MolecularWeight: 402.93928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC[C@H](CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H27ClN4O3S/c1-3-4-5-6-7-8-9-22-13-14(21(2)16(25)20-15(13)24)19-17(22)26-11-12(23)10-18/h12,23H,3-11H2,1-2H3,(H,20,24,25)/t12-/m0/s1