[5-(2-octyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(2-octyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3,4-dihydroxy-5-(2-octyl-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3,4-dihydroxy-5-(2-octyl-6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-(2-octyl-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3,4-dihydroxy-5-(6-keto-2-octyl-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C18H29N4O8P MolecularWeight: 460.418621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

CCCCCCCCC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C18H29N4O8P/c1-2-3-4-5-6-7-8-12-20-16-13(17(25)21-12)19-10-22(16)18-15(24)14(23)11(30-18)9-29-31(26,27)28/h10-11,14-15,18,23-24H,2-9H2,1H3,(H,20,21,25)(H2,26,27,28)