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

Systemtic Name: 3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[4-(o-tolylmethyl)piperazin-1-yl]-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[4-(2-methylbenzyl)piperazino]xanthine Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H32N6O2/c1-4-5-8-11-29-19-20(26(3)23(31)25-21(19)30)24-22(29)28-14-12-27(13-15-28)16-18-10-7-6-9-17(18)2/h6-7,9-10H,4-5,8,11-16H2,1-3H3,(H,25,30,31)