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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-stearyl-xanthine Formula: C40H59N5O2 MolecularWeight: 641.92876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C40H59N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-45-36(41-38-37(45)39(46)43(3)40(47)42(38)2)33-44(31-34-26-21-19-22-27-34)32-35-28-23-20-24-29-35/h19-24,26-29H,4-18,25,30-33H2,1-3H3