[4-(6-aminopurin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [4-(6-aminopurin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(6-aminopurin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(6-aminopurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(6-aminopurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-adenin-9-ylbutoxy(hydroxy)phosphoryl] phosphono hydrogen phosphate Formula: C9H16N5O10P3 MolecularWeight: 447.172123

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H16N5O10P3/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-22-26(18,19)24-27(20,21)23-25(15,16)17/h5-6H,1-4H2,(H,18,19)(H,20,21)(H2,10,11,12)(H2,15,16,17)