N-(5-bromanylpyridin-2-yl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C18H15BrN4O3S MolecularWeight: 447.3057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC(=O)NC3=NC=C(C=C3)Br)O

InChI

InChI=1S/C18H15BrN4O3S/c19-12-6-7-14(20-9-12)21-15(24)10-27-18-22-16(25)13(17(26)23-18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,20,21,24)(H2,22,23,25,26)