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

Systemtic Name: [(2R,3S,4R,5R)-5-[2,6-bis(diethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[2,6-bis(diethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[2,6-bis(diethylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[2,6-bis(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[2,6-bis(diethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C18H31N6O7P MolecularWeight: 474.448501

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O)N(CC)CC

Isomeric SMILES

CCN(CC)C1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N(CC)CC

InChI

InChI=1S/C18H31N6O7P/c1-5-22(6-2)15-12-16(21-18(20-15)23(7-3)8-4)24(10-19-12)17-14(26)13(25)11(31-17)9-30-32(27,28)29/h10-11,13-14,17,25-26H,5-9H2,1-4H3,(H2,27,28,29)/t11-,13-,14-,17-/m1/s1