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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-phenethyl-xanthine Formula: C30H31N5O2 MolecularWeight: 493.59944

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O2/c1-32-28-27(29(36)33(2)30(32)37)35(19-18-23-12-6-3-7-13-23)26(31-28)22-34(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17H,18-22H2,1-2H3