[(2R,3S,4R,5R)-5-[6-(diethylamino)-2-pentylsulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[6-(diethylamino)-2-pentylsulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[6-(diethylamino)-2-pentylsulfanyl-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[6-(diethylamino)-2-(pentylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[6-(diethylamino)-2-pentylsulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[2-(amylthio)-6-(diethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C19H32N5O7PS MolecularWeight: 505.525441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=N1)N(CC)CC)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

CCCCCSC1=NC2=C(C(=N1)N(CC)CC)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C19H32N5O7PS/c1-4-7-8-9-33-19-21-16(23(5-2)6-3)13-17(22-19)24(11-20-13)18-15(26)14(25)12(31-18)10-30-32(27,28)29/h11-12,14-15,18,25-26H,4-10H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,18-/m1/s1