1-[3-(7H-purin-6-ylamino)phenyl]ethanone

Systemtic Name: 1-[3-(7H-purin-6-ylamino)phenyl]ethanone Openeye Name: 1-[3-(7H-purin-6-ylamino)phenyl]ethanone CAS Name: 1-[3-(7H-purin-6-ylamino)phenyl]ethanone IUPAC Name: 1-[3-(7H-purin-6-ylamino)phenyl]ethanone Traditional Name: 1-[3-(7H-purin-6-ylamino)phenyl]ethanone Formula: C13H11N5O MolecularWeight: 253.25934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O/c1-8(19)9-3-2-4-10(5-9)18-13-11-12(15-6-14-11)16-7-17-13/h2-7H,1H3,(H2,14,15,16,17,18)