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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H16N5O11P3 MolecularWeight: 463.171523

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H16N5O11P3/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-23-27(19,20)25-28(21,22)24-26(16,17)18/h5H,1-4H2,(H,19,20)(H,21,22)(H2,16,17,18)(H3,10,12,13,15)