5-[4-(4-bromanylphenoxy)phenyl]-5-[4-(3-tributylstannylphenyl)carbonylpiperazin-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[4-(4-bromanylphenoxy)phenyl]-5-[4-(3-tributylstannylphenyl)carbonylpiperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[4-(4-bromophenoxy)phenyl]-5-[4-(3-tributylstannylbenzoyl)piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[4-(4-bromophenoxy)phenyl]-5-[4-[oxo-(3-tributylstannylphenyl)methyl]-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[4-(4-bromophenoxy)phenyl]-5-[4-(3-tributylstannylbenzoyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(4-bromophenoxy)phenyl]-5-[4-(3-tributylstannylbenzoyl)piperazino]barbituric acid Formula: C39H49BrN4O5Sn MolecularWeight: 852.44416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)Br

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3(C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H22BrN4O5.3C4H9.Sn/c28-20-8-12-22(13-9-20)37-21-10-6-19(7-11-21)27(24(34)29-26(36)30-25(27)35)32-16-14-31(15-17-32)23(33)18-4-2-1-3-5-18;3*1-3-4-2;/h1-2,4-13H,14-17H2,(H2,29,30,34,35,36);3*1,3-4H2,2H3;