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2-(7H-purin-6-ylamino)benzoic acid

2-(7H-purin-6-ylamino)benzoic acid

Systemtic Name:2-(7H-purin-6-ylamino)benzoic acid
Openeye Name:2-(7H-purin-6-ylamino)benzoic acid
CAS Name:2-(7H-purin-6-ylamino)benzoic acid
IUPAC Name:2-(7H-purin-6-ylamino)benzoic acid
Traditional Name:2-(7H-purin-6-ylamino)benzoic acid
Formula: C12H9N5O2
MolecularWeight: 255.23216
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2NC=N3


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2NC=N3


InChI

InChI=1S/C12H9N5O2/c18-12(19)7-3-1-2-4-8(7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H,18,19)(H2,13,14,15,16,17)


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