[(2R)-2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-chloranyl-butyl] benzoate

Systemtic Name: [(2R)-2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-4-chloranyl-butyl] benzoate Openeye Name: [(2R)-2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-4-chloro-butyl] benzoate CAS Name: benzoic acid [(2R)-2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-4-chlorobutyl] ester IUPAC Name: [(2R)-2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-4-chlorobutyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(2-acetamido-6-keto-3H-purin-9-yl)methoxy]-4-chloro-butyl] ester Formula: C19H20ClN5O5 MolecularWeight: 433.8456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COC(CCCl)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CO[C@H](CCCl)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN5O5/c1-12(26)22-19-23-16-15(17(27)24-19)21-10-25(16)11-30-14(7-8-20)9-29-18(28)13-5-3-2-4-6-13/h2-6,10,14H,7-9,11H2,1H3,(H2,22,23,24,26,27)/t14-/m1/s1