[5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl benzoate

Systemtic Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl benzoate Openeye Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[6-(cyclopropylmethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=NC=NC3=C2N=CN3C4CCC(O4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1CNC2=NC=NC3=C2N=CN3C4CCC(O4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H23N5O3/c27-21(15-4-2-1-3-5-15)28-11-16-8-9-17(29-16)26-13-25-18-19(22-10-14-6-7-14)23-12-24-20(18)26/h1-5,12-14,16-17H,6-11H2,(H,22,23,24)