[2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-1-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate

Systemtic Name: [2-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-1-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate Openeye Name: [2-[(2-amino-6-chloro-purin-9-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-6-chloro-9-purinyl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl ester IUPAC Name: [2-[(2-amino-6-chloropurin-9-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-amino-6-chloro-purin-9-yl)methyl]-1-(benzoyloxymethyl)cyclopropyl]methyl ester Formula: C25H22ClN5O4 MolecularWeight: 491.92628

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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=C(N=C5Cl)N

Isomeric SMILES

C1C(C1(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CN4C=NC5=C4N=C(N=C5Cl)N

InChI

InChI=1S/C25H22ClN5O4/c26-20-19-21(30-24(27)29-20)31(15-28-19)12-18-11-25(18,13-34-22(32)16-7-3-1-4-8-16)14-35-23(33)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H2,27,29,30)