7-ethyl-8-phenyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-8-phenyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-8-phenyl-purine-2,6-dione CAS Name: 7-ethyl-8-phenyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-8-phenylpurine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-8-phenyl-xanthine Formula: C20H18N4O2 MolecularWeight: 346.38252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2/c1-2-23-16-18(21-17(23)15-11-7-4-8-12-15)24(20(26)22-19(16)25)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,22,25,26)