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

Systemtic Name: 8-[(2R)-3-chloranyl-2-oxidanyl-propyl]sulfanyl-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(2R)-3-chloro-2-hydroxy-propyl]sulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[(2R)-3-chloro-2-hydroxypropyl]thio]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(2R)-3-chloro-2-hydroxypropyl]sulfanyl-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[(2R)-3-chloro-2-hydroxy-propyl]thio]-3-methyl-xanthine Formula: C14H21ClN4O3S MolecularWeight: 360.85954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC[C@H](CCl)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21ClN4O3S/c1-3-4-5-6-19-10-11(18(2)13(22)17-12(10)21)16-14(19)23-8-9(20)7-15/h9,20H,3-8H2,1-2H3,(H,17,21,22)/t9-/m0/s1