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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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