[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-(4-butylphenoxy)methyl] phosphono hydrogen phosphate

Systemtic Name: [[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-(4-butylphenoxy)methyl] phosphono hydrogen phosphate Openeye Name: [[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-(4-butylphenoxy)methyl] phosphono hydrogen phosphate CAS Name: [[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-(4-butylphenoxy)methyl] phosphono hydrogen phosphate IUPAC Name: [[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-(4-butylphenoxy)methyl] phosphono hydrogen phosphate Traditional Name: [[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-(4-butylphenoxy)methyl] phosphono hydrogen phosphate Formula: C20H27N5O11P2 MolecularWeight: 575.402802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(C2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(C2C(CC(O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C20H27N5O11P2/c1-2-3-4-11-5-7-12(8-6-11)33-19(35-38(31,32)36-37(28,29)30)16-13(26)9-14(34-16)25-10-22-15-17(25)23-20(21)24-18(15)27/h5-8,10,13-14,16,19,26H,2-4,9H2,1H3,(H,31,32)(H2,28,29,30)(H3,21,23,24,27)