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

Systemtic Name: [2-azanyl-6-chloranyl-1-methyl-9-(phenylcarbonyloxymethyl)purin-2-yl]methyl benzoate Openeye Name: [2-amino-9-(benzoyloxymethyl)-6-chloro-1-methyl-purin-2-yl]methyl benzoate CAS Name: benzoic acid [2-amino-9-(benzoyloxymethyl)-6-chloro-1-methyl-2-purinyl]methyl ester IUPAC Name: [2-amino-9-(benzoyloxymethyl)-6-chloro-1-methylpurin-2-yl]methyl benzoate Traditional Name: benzoic acid [2-amino-9-(benzoyloxymethyl)-6-chloro-1-methyl-purin-2-yl]methyl ester Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC1(COC(=O)C3=CC=CC=C3)N)N(C=N2)COC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=C2C(=NC1(COC(=O)C3=CC=CC=C3)N)N(C=N2)COC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O4/c1-27-18(23)17-19(26-22(27,24)12-31-20(29)15-8-4-2-5-9-15)28(13-25-17)14-32-21(30)16-10-6-3-7-11-16/h2-11,13H,12,14,24H2,1H3