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

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)NC(=O)N3C)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)NC(=O)N3C)CN(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2/c1-21-10-9-15-24(16-21)19-34-25(30-27-26(34)28(35)31-29(36)32(27)2)20-33(17-22-11-5-3-6-12-22)18-23-13-7-4-8-14-23/h3-16H,17-20H2,1-2H3,(H,31,35,36)