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

Systemtic Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-pyrimidin-4-yl]amino]-N-methoxy-4-methyl-benzamide Openeye Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-pyrimidin-4-yl]amino]-N-methoxy-4-methyl-benzamide CAS Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonyl-4-pyrimidinyl]amino]-N-methoxy-4-methylbenzamide IUPAC Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfonylpyrimidin-4-yl]amino]-N-methoxy-4-methylbenzamide Traditional Name: 3-[[5-cyano-2-mesyl-6-[methyl(neopentyl)amino]pyrimidin-4-yl]amino]-N-methoxy-4-methyl-benzamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H28N6O4S/c1-13-8-9-14(19(28)26-31-6)10-16(13)23-17-15(11-22)18(27(5)12-21(2,3)4)25-20(24-17)32(7,29)30/h8-10H,12H2,1-7H3,(H,26,28)(H,23,24,25)