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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(C)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-26(16-19-12-8-5-9-13-19)17-20-25-22-21(23(30)28(3)24(31)27(22)2)29(20)15-14-18-10-6-4-7-11-18/h4-13H,14-17H2,1-3H3