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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-3-methyl-7-phenethyl-xanthine Formula: C29H29N5O2 MolecularWeight: 479.57286

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c1-32-27-26(28(35)31-29(32)36)34(18-17-22-11-5-2-6-12-22)25(30-27)21-33(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16H,17-21H2,1H3,(H,31,35,36)