3-methyl-7-[(2-methylphenyl)methyl]-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-3-methyl-7-(2-methylbenzyl)xanthine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=NC3=C2C(=O)NC(=O)N3C)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2C(=NC3=C2C(=O)NC(=O)N3C)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N6O2/c1-19-8-6-7-11-21(19)17-32-22(27-24-23(32)25(33)28-26(34)29(24)2)18-31-14-12-30(13-15-31)16-20-9-4-3-5-10-20/h3-11H,12-18H2,1-2H3,(H,28,33,34)