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

Systemtic Name: bis[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] hydrogen phosphate Openeye Name: bis[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] hydrogen phosphate CAS Name: bis[[(2R,3S,4R,5R)-5-[6-(dimethylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl] hydrogen phosphate IUPAC Name: bis[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl] hydrogen phosphate Traditional Name: bis[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] hydrogen phosphate Formula: C24H33N10O10P MolecularWeight: 652.553581

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N(C)C)O)O)O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N(C)C)O)O)O)O

InChI

InChI=1S/C24H33N10O10P/c1-31(2)19-13-21(27-7-25-19)33(9-29-13)23-17(37)15(35)11(43-23)5-41-45(39,40)42-6-12-16(36)18(38)24(44-12)34-10-30-14-20(32(3)4)26-8-28-22(14)34/h7-12,15-18,23-24,35-38H,5-6H2,1-4H3,(H,39,40)/t11-,12-,15-,16-,17-,18-,23-,24-/m1/s1