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

Systemtic Name: [[(2R,3S,4R,5R)-5-(2-azanyl-4-oxidanylidene-5-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-4-oxo-5-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-4-oxo-5-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-4-oxo-5-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-4-keto-5-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C19H25N4O14P3 MolecularWeight: 626.341483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN(C3=C2C(=O)N=C(N3)N)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN(C3=C2C(=O)N=C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C19H25N4O14P3/c20-19-21-16-13(17(26)22-19)11(7-6-10-4-2-1-3-5-10)8-23(16)18-15(25)14(24)12(35-18)9-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-5,8,12,14-15,18,24-25H,6-7,9H2,(H,30,31)(H,32,33)(H2,27,28,29)(H3,20,21,22,26)/t12-,14-,15-,18-/m1/s1