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

Systemtic Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-8-[[4-(4-methoxyphenyl)piperazino]methyl]-3-methyl-xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H30N6O3/c1-15(2)13-28-18(23-20-19(28)21(29)24-22(30)25(20)3)14-26-9-11-27(12-10-26)16-5-7-17(31-4)8-6-16/h5-8,15H,9-14H2,1-4H3,(H,24,29,30)