[[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[4-(2-amino-6-keto-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H14N5O13P3 MolecularWeight: 493.154443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H14N5O13P3/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-1-23-5(25-4)2-24-29(19,20)27-30(21,22)26-28(16,17)18/h3-5H,1-2H2,(H,19,20)(H,21,22)(H2,16,17,18)(H3,10,12,13,15)