[(2S,4S)-4-[6-(cyclopropylamino)purin-9-yl]oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4S)-4-[6-(cyclopropylamino)purin-9-yl]oxolan-2-yl]methyl benzoate Openeye Name: [(2S,4S)-4-[6-(cyclopropylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-4-[6-(cyclopropylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,4S)-4-[6-(cyclopropylamino)purin-9-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-4-[6-(cyclopropylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2N=CN3C4CC(OC4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC2=NC=NC3=C2N=CN3[C@H]4C[C@H](OC4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C20H21N5O3/c26-20(13-4-2-1-3-5-13)28-10-16-8-15(9-27-16)25-12-23-17-18(24-14-6-7-14)21-11-22-19(17)25/h1-5,11-12,14-16H,6-10H2,(H,21,22,24)/t15-,16-/m0/s1