5-[(5-bromanyl-2,5-dihydrothiophen-2-yl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(5-bromanyl-2,5-dihydrothiophen-2-yl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-2,5-dihydrothiophen-2-yl)methyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-2,5-dihydrothiophen-2-yl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromo-2,5-dihydrothiophen-2-yl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-bromo-2,5-dihydrothiophen-2-yl)methyl]-5-[2-(4-pyridyl)ethyl]barbituric acid Formula: C16H16BrN3O3S MolecularWeight: 410.28554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(SC1CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)Br

Isomeric SMILES

C1=CC(SC1CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)Br

InChI

InChI=1S/C16H16BrN3O3S/c17-12-2-1-11(24-12)9-16(6-3-10-4-7-18-8-5-10)13(21)19-15(23)20-14(16)22/h1-2,4-5,7-8,11-12H,3,6,9H2,(H2,19,20,21,22,23)