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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(dibenzylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(dibenzylamino)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(dibenzylamino)methyl]-3-methyl-xanthine Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c1-31-26-25(27(34)30-28(31)35)33(19-23-15-9-4-10-16-23)24(29-26)20-32(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16H,17-20H2,1H3,(H,30,34,35)