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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-hexadecyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-hexadecyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-cetyl-8-[(dibenzylamino)methyl]-1,3-dimethyl-xanthine Formula: C38H55N5O2 MolecularWeight: 613.8756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C38H55N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-43-34(39-36-35(43)37(44)41(3)38(45)40(36)2)31-42(29-32-24-19-17-20-25-32)30-33-26-21-18-22-27-33/h17-22,24-27H,4-16,23,28-31H2,1-3H3