[[5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: [[5-(6-amino-2-hex-1-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: [[5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: [[5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate Formula: C16H20N5O10P2-3 MolecularWeight: 504.305022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O

InChI

InChI=1S/C16H23N5O10P2/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(23)12(22)9(30-16)7-29-33(27,28)31-32(24,25)26/h8-9,12-13,16,22-23H,2-4,7H2,1H3,(H,27,28)(H2,17,19,20)(H2,24,25,26)/p-3