8-[[bis(phenylmethyl)amino]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-xanthine Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCOC

InChI

InChI=1S/C25H29N5O3/c1-27-23-22(24(31)28(2)25(27)32)30(14-15-33-3)21(26-23)18-29(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3