[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[(2-methyl-1-oxopropoxy)methyl]-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(2-methylpropanoyloxymethyl)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-(2-amino-6-keto-3H-purin-9-yl)-2-(isobutyryloxymethyl)tetrahydrofuran-3-yl] ester Formula: C19H25N5O7 MolecularWeight: 435.4311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O7/c1-9(2)18(28)29-7-12-11(31-14(26)5-4-10(3)25)6-13(30-12)24-8-21-15-16(24)22-19(20)23-17(15)27/h8-9,11-13H,4-7H2,1-3H3,(H3,20,22,23,27)