5-(4-butoxyphenyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(4-butoxyphenyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-(4-butoxyphenyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-(4-butoxyphenyl)-5-[4-(2-hydroxyphenyl)-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(4-butoxyphenyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-butoxyphenyl)-5-[4-(2-hydroxyphenyl)piperazino]barbituric acid Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)N3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C24H28N4O5/c1-2-3-16-33-18-10-8-17(9-11-18)24(21(30)25-23(32)26-22(24)31)28-14-12-27(13-15-28)19-6-4-5-7-20(19)29/h4-11,29H,2-3,12-16H2,1H3,(H2,25,26,30,31,32)