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

Systemtic Name: [5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [3-hydroxy-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [3-hydroxy-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl 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)COC(=O)CCC(=O)C)O

Isomeric SMILES

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

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(26)12(31-13)7-30-14(27)5-4-10(3)25/h8-9,11-13,26H,4-7H2,1-3H3,(H2,21,22,23,28,29)