[2-[(6-azanyl-7H-purin-2-yl)methyl]-1-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate

Systemtic Name: [2-[(6-azanyl-7H-purin-2-yl)methyl]-1-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate Openeye Name: [2-[(6-amino-7H-purin-2-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl benzoate CAS Name: benzoic acid [2-[(6-amino-7H-purin-2-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl ester IUPAC Name: [2-[(6-amino-7H-purin-2-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid [2-[(6-amino-7H-purin-2-yl)methyl]-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)CC4=NC5=C(C(=N4)N)NC=N5

Isomeric SMILES

C1C(C1(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CC4=NC5=C(C(=N4)N)NC=N5

InChI

InChI=1S/C25H23N5O4/c26-21-20-22(28-15-27-20)30-19(29-21)11-18-12-25(18,13-33-23(31)16-7-3-1-4-8-16)14-34-24(32)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H3,26,27,28,29,30)