methyl 4-(6-chloranyl-7H-purin-8-yl)benzoate

Systemtic Name: methyl 4-(6-chloranyl-7H-purin-8-yl)benzoate Openeye Name: methyl 4-(6-chloro-7H-purin-8-yl)benzoate CAS Name: 4-(6-chloro-7H-purin-8-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-chloro-7H-purin-8-yl)benzoate Traditional Name: 4-(6-chloro-7H-purin-8-yl)benzoic acid methyl ester Formula: C13H9ClN4O2 MolecularWeight: 288.68916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C(=NC=N3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C(=NC=N3)Cl

InChI

InChI=1S/C13H9ClN4O2/c1-20-13(19)8-4-2-7(3-5-8)11-17-9-10(14)15-6-16-12(9)18-11/h2-6H,1H3,(H,15,16,17,18)