[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxy-oxolan-2-yl]methyl butanoate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxy-oxolan-2-yl]methyl butanoate Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxy-tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dimethoxyoxolan-2-yl]methyl butanoate Traditional Name: butyric acid [(2R,3R,4R,5R)-5-adenin-9-yl-3,4-dimethoxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)OC)OC

InChI

InChI=1S/C16H23N5O5/c1-4-5-10(22)25-6-9-12(23-2)13(24-3)16(26-9)21-8-20-11-14(17)18-7-19-15(11)21/h7-9,12-13,16H,4-6H2,1-3H3,(H2,17,18,19)/t9-,12-,13-,16-/m1/s1