methyl 4-(5H-purin-6-ylamino)benzoate

Systemtic Name: methyl 4-(5H-purin-6-ylamino)benzoate Openeye Name: methyl 4-(5H-purin-6-ylamino)benzoate CAS Name: 4-(5H-purin-6-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(5H-purin-6-ylamino)benzoate Traditional Name: 4-(5H-purin-6-ylamino)benzoic acid methyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=NC=NC32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC3=NC=NC32

InChI

InChI=1S/C13H11N5O2/c1-20-13(19)8-2-4-9(5-3-8)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,10H,1H3,(H,14,15,16,17,18)