[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C10H16N5O14P3 MolecularWeight: 523.180423

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)