[[4-(2-azanylpurin-9-yl)-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[4-(2-azanylpurin-9-yl)-1,3-dioxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[4-(2-amino-9-purinyl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[4-(2-aminopurin-9-yl)-1,3-dioxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H14N5O12P3 MolecularWeight: 477.155043

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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=CN=C(N=C32)N

Isomeric SMILES

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C9H14N5O12P3/c10-9-11-1-5-8(13-9)14(4-12-5)6-2-22-7(24-6)3-23-28(18,19)26-29(20,21)25-27(15,16)17/h1,4,6-7H,2-3H2,(H,18,19)(H,20,21)(H2,10,11,13)(H2,15,16,17)