[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl phenyl pyridin-3-yl phosphate

Systemtic Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl phenyl pyridin-3-yl phosphate Openeye Name: [(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl phenyl 3-pyridyl phosphate CAS Name: phosphoric acid [(2S,5R)-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl phenyl 3-pyridinyl ester IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl phenyl pyridin-3-yl phosphate Traditional Name: phosphoric acid [(2S,5R)-5-adenin-9-yltetrahydrofuran-2-yl]methyl phenyl 3-pyridyl ester Formula: C21H21N6O5P MolecularWeight: 468.402401

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)(OC2=CC=CC=C2)OC3=CN=CC=C3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1C[C@@H](O[C@@H]1COP(=O)(OC2=CC=CC=C2)OC3=CN=CC=C3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C21H21N6O5P/c22-20-19-21(25-13-24-20)27(14-26-19)18-9-8-17(30-18)12-29-33(28,31-15-5-2-1-3-6-15)32-16-7-4-10-23-11-16/h1-7,10-11,13-14,17-18H,8-9,12H2,(H2,22,24,25)/t17-,18+,33?/m0/s1