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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-butyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-butyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-xanthine Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-4-5-16-31-22(27-24-23(31)25(32)29(3)26(33)28(24)2)19-30(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h6-15H,4-5,16-19H2,1-3H3