1-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]phenyl]ethanone

Systemtic Name: 1-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]phenyl]ethanone Openeye Name: 1-[3-(6-amino-9-benzyl-purin-8-yl)phenyl]ethanone CAS Name: 1-[3-[6-amino-9-(phenylmethyl)-8-purinyl]phenyl]ethanone IUPAC Name: 1-[3-(6-amino-9-benzylpurin-8-yl)phenyl]ethanone Traditional Name: 1-[3-(6-amino-9-benzyl-purin-8-yl)phenyl]ethanone Formula: C20H17N5O MolecularWeight: 343.38188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C20H17N5O/c1-13(26)15-8-5-9-16(10-15)19-24-17-18(21)22-12-23-20(17)25(19)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H2,21,22,23)