(2-azanyl-7H-purin-6-yl) benzoate

Systemtic Name: (2-azanyl-7H-purin-6-yl) benzoate Openeye Name: (2-amino-7H-purin-6-yl) benzoate CAS Name: benzoic acid (2-amino-7H-purin-6-yl) ester IUPAC Name: (2-amino-7H-purin-6-yl) benzoate Traditional Name: benzoic acid (2-amino-7H-purin-6-yl) ester Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C12H9N5O2/c13-12-16-9-8(14-6-15-9)10(17-12)19-11(18)7-4-2-1-3-5-7/h1-6H,(H3,13,14,15,16,17)