[5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-[6-(cyclopropylmethylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [5-[6-(cyclopropylmethylamino)purin-9-yl]oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-[6-(cyclopropylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=NC=NC3=C2N=CN3C4CCC(O4)COC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1CNC2=NC=NC3=C2N=CN3C4CCC(O4)COC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5/c28-21(14-3-5-15(6-4-14)27(29)30)31-10-16-7-8-17(32-16)26-12-25-18-19(22-9-13-1-2-13)23-11-24-20(18)26/h3-6,11-13,16-17H,1-2,7-10H2,(H,22,23,24)