[5-(2-azanyl-6-oxidanylidene-2,3-dihydro-1H-purin-9-yl)-3,4-diphosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-2,3-dihydro-1H-purin-9-yl)-3,4-diphosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)-3,4-diphosphonooxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)-3,4-diphosphonooxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)-3,4-diphosphonooxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-(2-amino-6-keto-2,3-dihydro-1H-purin-9-yl)-3,4-diphosphonooxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C10H18N5O14P3 MolecularWeight: 525.196303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N5O14P3/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6(29-32(23,24)25)5(28-31(20,21)22)3(27-9)1-26-30(17,18)19/h2-3,5-6,9-10,13H,1,11H2,(H,14,16)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)