1-[3-[(2-azanyl-7H-purin-6-yl)amino]phenyl]ethanone

Systemtic Name: 1-[3-[(2-azanyl-7H-purin-6-yl)amino]phenyl]ethanone Openeye Name: 1-[3-[(2-amino-7H-purin-6-yl)amino]phenyl]ethanone CAS Name: 1-[3-[(2-amino-7H-purin-6-yl)amino]phenyl]ethanone IUPAC Name: 1-[3-[(2-amino-7H-purin-6-yl)amino]phenyl]ethanone Traditional Name: 1-[3-[(2-amino-7H-purin-6-yl)amino]phenyl]ethanone Formula: C13H12N6O MolecularWeight: 268.27398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O/c1-7(20)8-3-2-4-9(5-8)17-12-10-11(16-6-15-10)18-13(14)19-12/h2-6H,1H3,(H4,14,15,16,17,18,19)