1-[6-[(phenylmethyl)amino]purin-9-yl]ethanone

Systemtic Name: 1-[6-[(phenylmethyl)amino]purin-9-yl]ethanone Openeye Name: 1-[6-(benzylamino)purin-9-yl]ethanone CAS Name: 1-[6-[(phenylmethyl)amino]-9-purinyl]ethanone IUPAC Name: 1-[6-(benzylamino)purin-9-yl]ethanone Traditional Name: 1-[6-(benzylamino)purin-9-yl]ethanone Formula: C14H13N5O MolecularWeight: 267.28592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

InChI

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