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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=C(N3CCC(C)C)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=C(N3CCC(C)C)C(=O)NC(=O)N4C

InChI

InChI=1S/C23H32N6O2/c1-16(2)9-10-29-19-20(26(4)23(31)25-21(19)30)24-22(29)28-13-11-27(12-14-28)15-18-7-5-17(3)6-8-18/h5-8,16H,9-15H2,1-4H3,(H,25,30,31)