3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonylpyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-cyano-2-mesyl-6-[methyl(neopentyl)amino]pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)S(=O)(=O)C)N(C)CC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)S(=O)(=O)C)N(C)CC(C)(C)C)C#N

InChI

InChI=1S/C21H28N6O3S/c1-13-8-9-14(19(28)23-5)10-16(13)24-17-15(11-22)18(27(6)12-21(2,3)4)26-20(25-17)31(7,29)30/h8-10H,12H2,1-7H3,(H,23,28)(H,24,25,26)