3-[9-(phenylmethyl)purin-6-yl]butan-2-one

Systemtic Name: 3-[9-(phenylmethyl)purin-6-yl]butan-2-one Openeye Name: 3-(9-benzylpurin-6-yl)butan-2-one CAS Name: 3-[9-(phenylmethyl)-6-purinyl]-2-butanone IUPAC Name: 3-(9-benzylpurin-6-yl)butan-2-one Traditional Name: 3-(9-benzylpurin-6-yl)butan-2-one Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C16H16N4O/c1-11(12(2)21)14-15-16(18-9-17-14)20(10-19-15)8-13-6-4-3-5-7-13/h3-7,9-11H,8H2,1-2H3