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7H-purin-6-yl benzoate

7H-purin-6-yl benzoate

Systemtic Name:7H-purin-6-yl benzoate
Openeye Name:7H-purin-6-yl benzoate
CAS Name:benzoic acid 7H-purin-6-yl ester
IUPAC Name:7H-purin-6-yl benzoate
Traditional Name:benzoic acid 7H-purin-6-yl ester
Formula: C12H8N4O2
MolecularWeight: 240.21752
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H8N4O2/c17-12(8-4-2-1-3-5-8)18-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H,13,14,15,16)


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