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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[(dibenzylamino)methyl]-3-methyl-xanthine Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-3-4-11-16-31-22(27-24-23(31)25(32)28-26(33)29(24)2)19-30(17-20-12-7-5-8-13-20)18-21-14-9-6-10-15-21/h5-10,12-15H,3-4,11,16-19H2,1-2H3,(H,28,32,33)