4-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)-4-(oxan-2-yloxy)oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)-4-(oxan-2-yloxy)oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)-4-tetrahydropyran-2-yloxy-tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2-methyl-1-oxopropoxy)methyl]-4-(2-oxanyloxy)-3-oxolanyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)-4-(oxan-2-yloxy)oxolan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[5-(2-amino-6-keto-3H-purin-9-yl)-2-(isobutyryloxymethyl)-4-tetrahydropyran-2-yloxy-tetrahydrofuran-3-yl]oxy-4-keto-butyric acid Formula: C23H31N5O10 MolecularWeight: 537.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC4CCCCO4)OC(=O)CCC(=O)O

Isomeric SMILES

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)OC4CCCCO4)OC(=O)CCC(=O)O

InChI

InChI=1S/C23H31N5O10/c1-11(2)22(33)35-9-12-17(37-14(31)7-6-13(29)30)18(38-15-5-3-4-8-34-15)21(36-12)28-10-25-16-19(28)26-23(24)27-20(16)32/h10-12,15,17-18,21H,3-9H2,1-2H3,(H,29,30)(H3,24,26,27,32)