4-[[5-bromanyl-2-[ethyl(methyl)amino]-4-oxidanylidene-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-2-[ethyl(methyl)amino]-4-oxidanylidene-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-[ethyl(methyl)amino]-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-[ethyl(methyl)amino]-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[5-bromo-2-[ethyl(methyl)amino]-4-oxo-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-[ethyl(methyl)amino]-4-keto-1H-pyrimidin-6-yl]sulfonyl]-3,5-dimethyl-benzonitrile Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=NC(=O)C(=C(N1)S(=O)(=O)C2=C(C=C(C=C2C)C#N)C)Br

Isomeric SMILES

CCN(C)C1=NC(=O)C(=C(N1)S(=O)(=O)C2=C(C=C(C=C2C)C#N)C)Br

InChI

InChI=1S/C16H17BrN4O3S/c1-5-21(4)16-19-14(22)12(17)15(20-16)25(23,24)13-9(2)6-11(8-18)7-10(13)3/h6-7H,5H2,1-4H3,(H,19,20,22)