[[5-(6-azanyl-7-methyl-8H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-(6-azanyl-7-methyl-8H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-(6-amino-7-methyl-8H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-(6-amino-7-methyl-8H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-(6-amino-7-methyl-8H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-(6-amino-7-methyl-8H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C11H20N5O12P3 MolecularWeight: 507.224083

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C2=C1C(=NC=N2)N)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CN1CN(C2=C1C(=NC=N2)N)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C11H20N5O12P3/c1-15-5-16(11-9(15)10(12)13-4-14-11)8-2-6(17)7(26-8)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4,6-8,17H,2-3,5H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)