[(2S,5S)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2S,5S)-5-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)oxan-2-yl]methyl ethanoate Openeye Name: [(2S,5S)-5-(2-acetamido-6-oxo-3H-purin-9-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,5S)-5-(2-acetamido-6-oxo-3H-purin-9-yl)-2-oxanyl]methyl ester IUPAC Name: [(2S,5S)-5-(2-acetamido-6-oxo-3H-purin-9-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,5S)-5-(2-acetamido-6-keto-3H-purin-9-yl)tetrahydropyran-2-yl]methyl ester Formula: C15H19N5O5 MolecularWeight: 349.34186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CCC(OC3)COC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3CC[C@H](OC3)COC(=O)C

InChI

InChI=1S/C15H19N5O5/c1-8(21)17-15-18-13-12(14(23)19-15)16-7-20(13)10-3-4-11(25-5-10)6-24-9(2)22/h7,10-11H,3-6H2,1-2H3,(H2,17,18,19,21,23)/t10-,11-/m0/s1