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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-hexyl-1,3-dimethyl-xanthine Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2/c1-4-5-6-13-18-33-24(29-26-25(33)27(34)31(3)28(35)30(26)2)21-32(19-22-14-9-7-10-15-22)20-23-16-11-8-12-17-23/h7-12,14-17H,4-6,13,18-21H2,1-3H3