2-[4-azanylidene-5-(ethoxymethyl)-2-methyl-pyrimidin-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[4-azanylidene-5-(ethoxymethyl)-2-methyl-pyrimidin-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[5-(ethoxymethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[5-(ethoxymethyl)-4-imino-2-methyl-1-pyrimidinyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[5-(ethoxymethyl)-4-imino-2-methylpyrimidin-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[5-(ethoxymethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(2-thienyl)ethanone bromide Formula: C14H17BrN3O2S- MolecularWeight: 371.27268

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CN(C(=NC1=N)C)CC(=O)C2=CC=CS2.[Br-]

Isomeric SMILES

CCOCC1=CN(C(=NC1=N)C)CC(=O)C2=CC=CS2.[Br-]

InChI

InChI=1S/C14H17N3O2S.BrH/c1-3-19-9-11-7-17(10(2)16-14(11)15)8-12(18)13-5-4-6-20-13;/h4-7,15H,3,8-9H2,1-2H3;1H/p-1