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

Systemtic Name: 8-[(2R)-3-chloranyl-2-oxidanyl-propyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2R)-3-chloro-2-hydroxy-propyl]sulfanyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[[(2R)-3-chloro-2-hydroxypropyl]thio]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2R)-3-chloro-2-hydroxypropyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[[(2R)-3-chloro-2-hydroxy-propyl]thio]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C12H17ClN4O4S MolecularWeight: 348.80578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CCl)O)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC[C@H](CCl)O)CCOC

InChI

InChI=1S/C12H17ClN4O4S/c1-16-9-8(10(19)15-11(16)20)17(3-4-21-2)12(14-9)22-6-7(18)5-13/h7,18H,3-6H2,1-2H3,(H,15,19,20)/t7-/m0/s1