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

Systemtic Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[4-(m-tolylmethyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-[4-(3-methylbenzyl)piperazino]xanthine Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CC5=CC=CC=C5)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CC5=CC=CC=C5)C(=O)NC(=O)N4C

InChI

InChI=1S/C25H28N6O2/c1-18-7-6-10-20(15-18)16-29-11-13-30(14-12-29)24-26-22-21(23(32)27-25(33)28(22)2)31(24)17-19-8-4-3-5-9-19/h3-10,15H,11-14,16-17H2,1-2H3,(H,27,32,33)