[[(2S,5R)-5-[4-azanyl-5-(3-azanylprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2S,5R)-5-[4-azanyl-5-(3-azanylprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C14H20N5O11P3 MolecularWeight: 527.256783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C3=C2N=CN=C3N)C#CCN

Isomeric SMILES

C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C3=C2N=CN=C3N)C#CCN

InChI

InChI=1S/C14H20N5O11P3/c15-5-1-2-9-6-19(14-12(9)13(16)17-8-18-14)11-4-3-10(28-11)7-27-32(23,24)30-33(25,26)29-31(20,21)22/h6,8,10-11H,3-5,7,15H2,(H,23,24)(H,25,26)(H2,16,17,18)(H2,20,21,22)/t10-,11+/m0/s1