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

Systemtic Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(6-phenylhexyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(6-phenylhexyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[4-(2-hydroxyethyl)-1-piperazinyl]-5-(6-phenylhexyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(6-phenylhexyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(2-hydroxyethyl)piperazino]-5-(6-phenylhexyl)barbituric acid Formula: C22H32N4O4 MolecularWeight: 416.51388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2(C(=O)NC(=O)NC2=O)CCCCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCO)C2(C(=O)NC(=O)NC2=O)CCCCCCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O4/c27-17-16-25-12-14-26(15-13-25)22(19(28)23-21(30)24-20(22)29)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,27H,1-2,4,7-8,11-17H2,(H2,23,24,28,29,30)