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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C33H31N5O2 MolecularWeight: 529.63154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H31N5O2/c1-35-31-30(32(39)36(2)33(35)40)38(22-27-18-11-17-26-16-9-10-19-28(26)27)29(34-31)23-37(20-24-12-5-3-6-13-24)21-25-14-7-4-8-15-25/h3-19H,20-23H2,1-2H3