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

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl butanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl butanoate Traditional Name: butyric acid [(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4/c1-2-3-11(21)22-5-9-8(20)4-10(23-9)19-7-18-12-13(15)16-6-17-14(12)19/h6-10,20H,2-5H2,1H3,(H2,15,16,17)/t8-,9+,10+/m0/s1