2-oxidanylpropane-1,2,3-tricarboxylate; 5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-phenyl-5-(1-piperidyl)-1,3-bis[2-(1-piperidyl)ethyl]hexahydropyrimidine-2,4,6-trione dicitrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 5-phenyl-5-(1-piperidinyl)-1,3-bis[2-(1-piperidinyl)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-phenyl-5-piperidino-1,3-bis(2-piperidinoethyl)barbituric acid dicitrate Formula: C41H53N5O17-6 MolecularWeight: 887.88282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C(=O)C(C(=O)N(C2=O)CCN3CCCCC3)(C4=CC=CC=C4)N5CCCCC5.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)CCN2C(=O)C(C(=O)N(C2=O)CCN3CCCCC3)(C4=CC=CC=C4)N5CCCCC5.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C29H43N5O3.2C6H8O7/c35-26-29(25-13-5-1-6-14-25,32-19-11-4-12-20-32)27(36)34(24-22-31-17-9-3-10-18-31)28(37)33(26)23-21-30-15-7-2-8-16-30;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h1,5-6,13-14H,2-4,7-12,15-24H2;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-6