5,5-diethyl-1,3-diazinane-2,4,6-trione; gold(1+); triphenylphosphanium

Systemtic Name: 5,5-diethyl-1,3-diazinane-2,4,6-trione; gold(1+); triphenylphosphanium Openeye Name: 5,5-diethylhexahydropyrimidine-2,4,6-trione; gold(1+); triphenylphosphonium CAS Name: 5,5-diethyl-1,3-diazinane-2,4,6-trione; gold(1+); triphenylphosphonium IUPAC Name: 5,5-diethyl-1,3-diazinane-2,4,6-trione; gold(1+); triphenylphosphanium Traditional Name: barbital; gold(1+); triphenylphosphonium Formula: C44H44Au2N2O3P2+4 MolecularWeight: 1104.712382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+].[Au+]

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+].[Au+]

InChI

InChI=1S/2C18H15P.C8H12N2O3.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-8(4-2)5(11)9-7(13)10-6(8)12;;/h2*1-15H;3-4H2,1-2H3,(H2,9,10,11,12,13);;/q;;;2*+1/p+2