[2-chloranyl-9-(phenylmethyl)purin-6-yl]methyl benzoate

Systemtic Name: [2-chloranyl-9-(phenylmethyl)purin-6-yl]methyl benzoate Openeye Name: (9-benzyl-2-chloro-purin-6-yl)methyl benzoate CAS Name: benzoic acid [2-chloro-9-(phenylmethyl)-6-purinyl]methyl ester IUPAC Name: (9-benzyl-2-chloropurin-6-yl)methyl benzoate Traditional Name: benzoic acid (9-benzyl-2-chloro-purin-6-yl)methyl ester Formula: C20H15ClN4O2 MolecularWeight: 378.8117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4O2/c21-20-23-16(12-27-19(26)15-9-5-2-6-10-15)17-18(24-20)25(13-22-17)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2