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4-(6-azanyl-7H-purin-8-yl)benzoate

4-(6-azanyl-7H-purin-8-yl)benzoate

Systemtic Name:4-(6-azanyl-7H-purin-8-yl)benzoate
Openeye Name:4-(6-amino-7H-purin-8-yl)benzoate
CAS Name:4-(6-amino-7H-purin-8-yl)benzoate
IUPAC Name:4-(6-amino-7H-purin-8-yl)benzoate
Traditional Name:4-(6-amino-7H-purin-8-yl)benzoate
Formula: C12H8N5O2-
MolecularWeight: 254.22422
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)C(=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=NC=N3)N)C(=O)[O-]


InChI

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


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