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

Systemtic Name: 2-[4-azanylidene-5-(ethoxymethyl)-2-methyl-pyrimidin-1-yl]-1-(4-ethylphenyl)ethanone bromide Openeye Name: 2-[5-(ethoxymethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(4-ethylphenyl)ethanone bromide CAS Name: 2-[5-(ethoxymethyl)-4-imino-2-methyl-1-pyrimidinyl]-1-(4-ethylphenyl)ethanone bromide IUPAC Name: 2-[5-(ethoxymethyl)-4-imino-2-methylpyrimidin-1-yl]-1-(4-ethylphenyl)ethanone bromide Traditional Name: 2-[5-(ethoxymethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(4-ethylphenyl)ethanone bromide Formula: C18H23BrN3O2- MolecularWeight: 393.29812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CN2C=C(C(=N)N=C2C)COCC.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C=C(C(=N)N=C2C)COCC.[Br-]

InChI

InChI=1S/C18H23N3O2.BrH/c1-4-14-6-8-15(9-7-14)17(22)11-21-10-16(12-23-5-2)18(19)20-13(21)3;/h6-10,19H,4-5,11-12H2,1-3H3;1H/p-1