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

Systemtic Name: 3-butyl-7-ethyl-8-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[4-(3-methylbenzyl)piperazino]methyl]xanthine Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)CC4=CC=CC(=C4)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)CC4=CC=CC(=C4)C)CC

InChI

InChI=1S/C24H34N6O2/c1-4-6-10-30-22-21(23(31)26-24(30)32)29(5-2)20(25-22)17-28-13-11-27(12-14-28)16-19-9-7-8-18(3)15-19/h7-9,15H,4-6,10-14,16-17H2,1-3H3,(H,26,31,32)