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

Systemtic Name: 3-butyl-8-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(4-o-phenetylpiperazino)methyl]xanthine Formula: C24H34N6O3 MolecularWeight: 454.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4OCC)CC

InChI

InChI=1S/C24H34N6O3/c1-4-7-12-30-22-21(23(31)26-24(30)32)29(5-2)20(25-22)17-27-13-15-28(16-14-27)18-10-8-9-11-19(18)33-6-3/h8-11H,4-7,12-17H2,1-3H3,(H,26,31,32)