[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-(methoxymethyl)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-(methoxymethyl)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-(methoxymethyl)benzoate CAS Name: 4-(methoxymethyl)benzoic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-(methoxymethyl)benzoate Traditional Name: 4-(methoxymethyl)benzoic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=C(C=C3)COC

Isomeric SMILES

C[C@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=C(C=C3)COC

InChI

InChI=1S/C17H17N5O4/c1-10(26-17(24)12-5-3-11(4-6-12)7-25-2)16(23)22-15-13-14(19-8-18-13)20-9-21-15/h3-6,8-10H,7H2,1-2H3,(H2,18,19,20,21,22,23)/t10-/m1/s1