[5-(6-aminopurin-9-yl)-3-azanyl-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-azanyl-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [3-amino-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [3-amino-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: (5-adenin-9-yl-3-amino-4-hydroxy-tetrahydrofuran-2-yl)methyl phosphono hydrogen phosphate Formula: C10H16N6O9P2 MolecularWeight: 426.216362

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)N)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)N)O

InChI

InChI=1S/C10H16N6O9P2/c11-5-4(1-23-27(21,22)25-26(18,19)20)24-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)