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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-8-(4-isopentylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-8-(4-isoamylpiperazino)-3-methyl-xanthine Formula: C22H29ClN6O2 MolecularWeight: 444.95766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C)CCN1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H29ClN6O2/c1-15(2)7-8-27-9-11-28(12-10-27)21-24-19-18(20(30)25-22(31)26(19)3)29(21)14-16-5-4-6-17(23)13-16/h4-6,13,15H,7-12,14H2,1-3H3,(H,25,30,31)