disodium [(2R,3S,4R,5R)-5-[6-(2-methoxyethylamino)-2-propylsulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: disodium [(2R,3S,4R,5R)-5-[6-(2-methoxyethylamino)-2-propylsulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methoxyethylamino)-2-propylsulfanyl-purin-9-yl]tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methoxyethylamino)-2-(propylthio)-9-purinyl]-2-oxolanyl]methyl phosphate IUPAC Name: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methoxyethylamino)-2-propylsulfanylpurin-9-yl]oxolan-2-yl]methyl phosphate Traditional Name: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methoxyethylamino)-2-(propylthio)purin-9-yl]tetrahydrofuran-2-yl]methyl phosphate Formula: C16H24N5Na2O8PS MolecularWeight: 523.408761

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NCCOC)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NCCOC)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C16H26N5O8PS.2Na/c1-3-6-31-16-19-13(17-4-5-27-2)10-14(20-16)21(8-18-10)15-12(23)11(22)9(29-15)7-28-30(24,25)26;;/h8-9,11-12,15,22-23H,3-7H2,1-2H3,(H,17,19,20)(H2,24,25,26);;/q;2*+1/p-2/t9-,11-,12-,15-;;/m1../s1