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4-(7H-purin-6-ylamino)benzoate

4-(7H-purin-6-ylamino)benzoate

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

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=NC=NC3=C2NC=N3


Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=NC=NC3=C2NC=N3


InChI

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


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