8-[[bis(phenylmethyl)amino]methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCOC

InChI

InChI=1S/C24H27N5O3/c1-27-22-21(23(30)26-24(27)31)29(13-14-32-2)20(25-22)17-28(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3,(H,26,30,31)