2-[[5-acetamido-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[[5-acetamido-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(5-acetamido-4,6-diketo-1H-pyrimidin-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C14H13BrN4O4S MolecularWeight: 413.24642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN4O4S/c1-7(20)16-11-12(22)18-14(19-13(11)23)24-6-10(21)17-9-4-2-8(15)3-5-9/h2-5,11H,6H2,1H3,(H,16,20)(H,17,21)(H,18,19,22,23)