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

Systemtic Name: [5-(6-azanyl-2-hex-1-ynyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-(6-amino-2-hex-1-ynyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-(6-amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C16H22N5O7P MolecularWeight: 427.348941

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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)O)O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C16H22N5O7P/c1-2-3-4-5-6-10-19-14(17)11-15(20-10)21(8-18-11)16-13(23)12(22)9(28-16)7-27-29(24,25)26/h8-9,12-13,16,22-23H,2-4,7H2,1H3,(H2,17,19,20)(H2,24,25,26)