4-[9-(phenylmethyl)purin-6-yl]butan-2-one

Systemtic Name: 4-[9-(phenylmethyl)purin-6-yl]butan-2-one Openeye Name: 4-(9-benzylpurin-6-yl)butan-2-one CAS Name: 4-[9-(phenylmethyl)-6-purinyl]-2-butanone IUPAC Name: 4-(9-benzylpurin-6-yl)butan-2-one Traditional Name: 4-(9-benzylpurin-6-yl)butan-2-one Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O/c1-12(21)7-8-14-15-16(18-10-17-14)20(11-19-15)9-13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3