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

Systemtic Name: 8-(4-butylpiperazin-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-butylpiperazin-1-yl)-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-butyl-1-piperazinyl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-butylpiperazin-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-butylpiperazino)-3-methyl-7-(2-methylbenzyl)xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H30N6O2/c1-4-5-10-26-11-13-27(14-12-26)21-23-19-18(20(29)24-22(30)25(19)3)28(21)15-17-9-7-6-8-16(17)2/h6-9H,4-5,10-15H2,1-3H3,(H,24,29,30)