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

Systemtic Name: [[(2S,5R)-5-(4-azanyl-5-propan-2-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2S,5R)-5-(4-amino-5-isopropyl-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2S,5R)-5-(4-amino-5-propan-2-yl-7-pyrrolo[2,3-d]pyrimidinyl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2S,5R)-5-(4-amino-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2S,5R)-5-(4-amino-5-isopropyl-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C13H21N4O11P3S MolecularWeight: 534.312323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN(C2=C1C(=NC=N2)N)C3CSC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC(C)C1=CN(C2=C1C(=NC=N2)N)[C@H]3CS[C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C13H21N4O11P3S/c1-7(2)8-3-17(13-11(8)12(14)15-6-16-13)9-5-32-10(26-9)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-7,9-10H,4-5H2,1-2H3,(H,21,22)(H,23,24)(H2,14,15,16)(H2,18,19,20)/t9-,10+/m1/s1