1-methyl-7-phenethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-methyl-7-phenethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-methyl-7-phenethyl-purine-2,6-dione CAS Name: 1-methyl-7-phenethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-methyl-7-phenethylpurine-2,6-dione Traditional Name: 3-benzyl-1-methyl-7-phenethyl-xanthine Formula: C21H20N4O2 MolecularWeight: 360.4091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CCC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CCC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-23-20(26)18-19(25(21(23)27)14-17-10-6-3-7-11-17)22-15-24(18)13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3