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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-octyl-xanthine Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H39N5O2/c1-4-5-6-7-8-15-20-35-26(31-28-27(35)29(36)33(3)30(37)32(28)2)23-34(21-24-16-11-9-12-17-24)22-25-18-13-10-14-19-25/h9-14,16-19H,4-8,15,20-23H2,1-3H3