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

Systemtic Name: 1-[6-[(phenylmethyl)amino]purin-9-yl]butan-1-one Openeye Name: 1-[6-(benzylamino)purin-9-yl]butan-1-one CAS Name: 1-[6-[(phenylmethyl)amino]-9-purinyl]-1-butanone IUPAC Name: 1-[6-(benzylamino)purin-9-yl]butan-1-one Traditional Name: 1-[6-(benzylamino)purin-9-yl]butan-1-one Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O/c1-2-6-13(22)21-11-20-14-15(18-10-19-16(14)21)17-9-12-7-4-3-5-8-12/h3-5,7-8,10-11H,2,6,9H2,1H3,(H,17,18,19)