[2-[(6-aminopurin-9-yl)methyl]-1-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate

Systemtic Name: [2-[(6-aminopurin-9-yl)methyl]-1-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate Openeye Name: [2-[(6-aminopurin-9-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl benzoate CAS Name: benzoic acid [2-[(6-aminopurin-9-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl ester IUPAC Name: [2-[(6-aminopurin-9-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid [2-(adenin-9-ylmethyl)-1-(benzoyloxymethyl)cyclopropyl]methyl ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

C1C(C1(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C25H23N5O4/c26-21-20-22(28-15-27-21)30(16-29-20)12-19-11-25(19,13-33-23(31)17-7-3-1-4-8-17)14-34-24(32)18-9-5-2-6-10-18/h1-10,15-16,19H,11-14H2,(H2,26,27,28)