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

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-bromo-2-thienyl)methyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-bromo-2-thiophenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-bromothiophen-2-yl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(5-bromo-2-thienyl)methyl]-5-[2-(4-pyridyl)ethyl]barbituric acid Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCC2(C(=O)NC(=O)NC2=O)CC3=CC=C(S3)Br

Isomeric SMILES

C1=CN=CC=C1CCC2(C(=O)NC(=O)NC2=O)CC3=CC=C(S3)Br

InChI

InChI=1S/C16H14BrN3O3S/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/h1-2,4-5,7-8H,3,6,9H2,(H2,19,20,21,22,23)