7-[2-(diphenylmethyl)oxyethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(diphenylmethyl)oxyethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-benzhydryloxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(diphenylmethyl)oxyethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-benzhydryloxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-benzhydryloxyethyl)-1,3-dimethyl-xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-24-20-18(21(27)25(2)22(24)28)26(15-23-20)13-14-29-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3