2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5-(3-methylbutanoyl)imidazole-1-carbonitrile

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5-(3-methylbutanoyl)imidazole-1-carbonitrile Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5-(3-methylbutanoyl)imidazole-1-carbonitrile CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-5-(3-methyl-1-oxobutyl)-1-imidazolecarbonitrile IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-5-(3-methylbutanoyl)imidazole-1-carbonitrile Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-5-isovaleryl-imidazole-1-carbonitrile Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CN=C(N1C#N)SC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC(C)CC(=O)C1=CN=C(N1C#N)SC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C15H17N5O3S/c1-9(2)5-11(21)10-7-17-15(20(10)8-16)24-14-18-12(22-3)6-13(19-14)23-4/h6-7,9H,5H2,1-4H3