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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)OC(=O)CCC(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)CO)OC(=O)CCC(=O)C

InChI

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