N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-cyano-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]acetamide Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C#N

InChI

InChI=1S/C16H13BrN4O4S/c1-8-9(6-18)15(21-16(23)19-8)26-7-14(22)20-11-5-13-12(4-10(11)17)24-2-3-25-13/h4-5H,2-3,7H2,1H3,(H,20,22)(H,19,21,23)