7-(2-phenoxyethyl)-3-phenyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-phenoxyethyl)-3-phenyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-(2-phenoxyethyl)-3-phenyl-purine-2,6-dione CAS Name: 7-(2-phenoxyethyl)-3-phenyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-7-(2-phenoxyethyl)-3-phenylpurine-2,6-dione Traditional Name: 1-benzyl-7-(2-phenoxyethyl)-3-phenyl-xanthine Formula: C26H22N4O3 MolecularWeight: 438.47788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CCOC4=CC=CC=C4)N(C2=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3CCOC4=CC=CC=C4)N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3/c31-25-23-24(27-19-28(23)16-17-33-22-14-8-3-9-15-22)30(21-12-6-2-7-13-21)26(32)29(25)18-20-10-4-1-5-11-20/h1-15,19H,16-18H2