5-ethyl-5-phenyl-1,3-bis(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-5-phenyl-1,3-bis(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-5-phenyl-1,3-bis(4-pyrrolidin-1-ylbut-2-ynyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-5-phenyl-1,3-bis[4-(1-pyrrolidinyl)but-2-ynyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-5-phenyl-1,3-bis(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-ethyl-5-phenyl-1,3-bis(4-pyrrolidinobut-2-ynyl)barbituric acid Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN2CCCC2)CC#CCN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN2CCCC2)CC#CCN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O3/c1-2-28(24-14-4-3-5-15-24)25(33)31(22-12-10-20-29-16-6-7-17-29)27(35)32(26(28)34)23-13-11-21-30-18-8-9-19-30/h3-5,14-15H,2,6-9,16-23H2,1H3