3-methyl-7-(triphenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(triphenylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-trityl-purine-2,6-dione CAS Name: 3-methyl-7-(triphenylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-tritylpurine-2,6-dione Traditional Name: 3-methyl-7-trityl-xanthine Formula: C25H20N4O2 MolecularWeight: 408.4519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2/c1-28-22-21(23(30)27-24(28)31)29(17-26-22)25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,27,30,31)