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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-7-heptyl-1,3-dimethyl-xanthine Formula: C29H37N5O2 MolecularWeight: 487.63638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H37N5O2/c1-4-5-6-7-14-19-34-25(30-27-26(34)28(35)32(3)29(36)31(27)2)22-33(20-23-15-10-8-11-16-23)21-24-17-12-9-13-18-24/h8-13,15-18H,4-7,14,19-22H2,1-3H3