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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-dodecyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-dodecyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-dodecyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-dodecyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-lauryl-1,3-dimethyl-xanthine Formula: C34H47N5O2 MolecularWeight: 557.76928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C34H47N5O2/c1-4-5-6-7-8-9-10-11-12-19-24-39-30(35-32-31(39)33(40)37(3)34(41)36(32)2)27-38(25-28-20-15-13-16-21-28)26-29-22-17-14-18-23-29/h13-18,20-23H,4-12,19,24-27H2,1-3H3