[4-(6-azanyl-2-hex-1-ynyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [4-(6-azanyl-2-hex-1-ynyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(6-amino-2-hex-1-ynyl-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(6-amino-2-hex-1-ynyl-9-purinyl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(6-amino-2-hex-1-ynylpurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-(6-amino-2-hex-1-ynyl-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C15H24N5O10P3 MolecularWeight: 527.299843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C15H24N5O10P3/c1-2-3-4-5-8-12-18-14(16)13-15(19-12)20(11-17-13)9-6-7-10-28-32(24,25)30-33(26,27)29-31(21,22)23/h11H,2-4,6-7,9-10H2,1H3,(H,24,25)(H,26,27)(H2,16,18,19)(H2,21,22,23)