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

Systemtic Name: 4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(2-methylpropanoyloxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(2-methylpropanoyloxymethyl)tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-[(2-methyl-1-oxopropoxy)methyl]-3-oxolanyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(2-methylpropanoyloxymethyl)oxolan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[2-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-5-(isobutyryloxymethyl)tetrahydrofuran-3-yl]oxy-4-keto-butyric acid Formula: C18H23N5O9 MolecularWeight: 453.40332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O9/c1-7(2)17(29)30-5-8-12(27)13(32-10(26)4-3-9(24)25)16(31-8)23-6-20-11-14(23)21-18(19)22-15(11)28/h6-8,12-13,16,27H,3-5H2,1-2H3,(H,24,25)(H3,19,21,22,28)