[(4R,6R)-6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] phosphono hydrogen phosphate

Systemtic Name: [(4R,6R)-6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] phosphono hydrogen phosphate Openeye Name: [(4R,6R)-6-(2-amino-6-oxo-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] phosphono hydrogen phosphate CAS Name: [(4R,6R)-6-(2-amino-6-oxo-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] phosphono hydrogen phosphate IUPAC Name: [(4R,6R)-6-(2-amino-6-oxo-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] phosphono hydrogen phosphate Traditional Name: [(4R,6R)-6-(2-amino-6-keto-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] phosphono hydrogen phosphate Formula: C12H17N5O11P2 MolecularWeight: 469.237802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(O1)C(OC2N3C=NC4=C3NC(=NC4=O)N)OP(=O)(O)OP(=O)(O)O)C

Isomeric SMILES

CC1(OC2[C@@H](O[C@@H](C2O1)OP(=O)(O)OP(=O)(O)O)N3C=NC4=C3NC(=NC4=O)N)C

InChI

InChI=1S/C12H17N5O11P2/c1-12(2)25-5-6(26-12)10(27-30(22,23)28-29(19,20)21)24-9(5)17-3-14-4-7(17)15-11(13)16-8(4)18/h3,5-6,9-10H,1-2H3,(H,22,23)(H2,19,20,21)(H3,13,15,16,18)/t5?,6?,9-,10-/m1/s1