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

Systemtic Name: 8-[(2R)-3-chloranyl-2-oxidanyl-propyl]sulfanyl-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2R)-3-chloro-2-hydroxy-propyl]sulfanyl-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(2R)-3-chloro-2-hydroxypropyl]thio]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2R)-3-chloro-2-hydroxypropyl]sulfanyl-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[[(2R)-3-chloro-2-hydroxy-propyl]thio]-7-heptyl-3-methyl-xanthine Formula: C16H25ClN4O3S MolecularWeight: 388.9127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SC[C@H](CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H25ClN4O3S/c1-3-4-5-6-7-8-21-12-13(20(2)15(24)19-14(12)23)18-16(21)25-10-11(22)9-17/h11,22H,3-10H2,1-2H3,(H,19,23,24)/t11-/m0/s1