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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-ethyl-1,3-dimethyl-xanthine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-4-29-20(25-22-21(29)23(30)27(3)24(31)26(22)2)17-28(15-18-11-7-5-8-12-18)16-19-13-9-6-10-14-19/h5-14H,4,15-17H2,1-3H3