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

Systemtic Name: 1-[3-[(7H-purin-6-ylamino)methyl]phenyl]ethanone Openeye Name: 1-[3-[(7H-purin-6-ylamino)methyl]phenyl]ethanone CAS Name: 1-[3-[(7H-purin-6-ylamino)methyl]phenyl]ethanone IUPAC Name: 1-[3-[(7H-purin-6-ylamino)methyl]phenyl]ethanone Traditional Name: 1-[3-[(7H-purin-6-ylamino)methyl]phenyl]ethanone Formula: C14H13N5O MolecularWeight: 267.28592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H13N5O/c1-9(20)11-4-2-3-10(5-11)6-15-13-12-14(17-7-16-12)19-8-18-13/h2-5,7-8H,6H2,1H3,(H2,15,16,17,18,19)