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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-(2-ethoxyethyl)-1,3-dimethyl-xanthine Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-4-34-16-15-31-22(27-24-23(31)25(32)29(3)26(33)28(24)2)19-30(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14H,4,15-19H2,1-3H3