[2-(2-azanyl-6-phenylmethoxy-purin-9-yl)-2-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate

Systemtic Name: [2-(2-azanyl-6-phenylmethoxy-purin-9-yl)-2-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate Openeye Name: [2-(2-amino-6-benzyloxy-purin-9-yl)-2-(benzoyloxymethyl)cyclopropyl]methyl benzoate CAS Name: benzoic acid [2-(2-amino-6-phenylmethoxy-9-purinyl)-2-(benzoyloxymethyl)cyclopropyl]methyl ester IUPAC Name: [2-(2-amino-6-phenylmethoxypurin-9-yl)-2-(benzoyloxymethyl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid [2-(2-amino-6-benzoxy-purin-9-yl)-2-(benzoyloxymethyl)cyclopropyl]methyl ester Formula: C31H27N5O5 MolecularWeight: 549.57658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N)COC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C(C1(COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H27N5O5/c32-30-34-26-25(27(35-30)39-17-21-10-4-1-5-11-21)33-20-36(26)31(19-41-29(38)23-14-8-3-9-15-23)16-24(31)18-40-28(37)22-12-6-2-7-13-22/h1-15,20,24H,16-19H2,(H2,32,34,35)