[4-(6-azanyl-2-pent-4-ynyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [4-(6-azanyl-2-pent-4-ynyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(6-amino-2-pent-4-ynyl-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(6-amino-2-pent-4-ynyl-9-purinyl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(6-amino-2-pent-4-ynylpurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-(6-amino-2-pent-4-ynyl-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C14H22N5O10P3 MolecularWeight: 513.273263

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C#CCCCC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C14H22N5O10P3/c1-2-3-4-7-11-17-13(15)12-14(18-11)19(10-16-12)8-5-6-9-27-31(23,24)29-32(25,26)28-30(20,21)22/h1,10H,3-9H2,(H,23,24)(H,25,26)(H2,15,17,18)(H2,20,21,22)