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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H32N6O2/c1-4-5-6-11-27-12-14-28(15-13-27)22-24-20-19(21(30)25-23(31)26(20)3)29(22)16-18-9-7-17(2)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,25,30,31)