[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-methylbutanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-methylbutanoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C15H21N5O5 MolecularWeight: 351.35774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC(C)CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C15H21N5O5/c1-7(2)3-9(21)24-4-8-11(22)12(23)15(25-8)20-6-19-10-13(16)17-5-18-14(10)20/h5-8,11-12,15,22-23H,3-4H2,1-2H3,(H2,16,17,18)