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

Systemtic Name: 3-butyl-7-ethyl-8-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[4-(2-phenoxyethyl)piperazino]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)CCOC4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)CCOC4=CC=CC=C4)CC

InChI

InChI=1S/C24H34N6O3/c1-3-5-11-30-22-21(23(31)26-24(30)32)29(4-2)20(25-22)18-28-14-12-27(13-15-28)16-17-33-19-9-7-6-8-10-19/h6-10H,3-5,11-18H2,1-2H3,(H,26,31,32)