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

Systemtic Name: [4-(6-azanyl-2-phenethyloxy-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(6-amino-2-phenethyloxy-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(6-amino-2-phenethyloxy-9-purinyl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(6-amino-2-phenethyloxypurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-(6-amino-2-phenethyloxy-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C17H24N5O11P3 MolecularWeight: 567.320643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=NC3=C(C(=N2)N)N=CN3CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=NC3=C(C(=N2)N)N=CN3CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C17H24N5O11P3/c18-15-14-16(21-17(20-15)30-11-8-13-6-2-1-3-7-13)22(12-19-14)9-4-5-10-31-35(26,27)33-36(28,29)32-34(23,24)25/h1-3,6-7,12H,4-5,8-11H2,(H,26,27)(H,28,29)(H2,18,20,21)(H2,23,24,25)