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

Systemtic Name: 3-[[5-bromanyl-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-bromo-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-bromo-6-[2,2-dimethylpropyl(methyl)amino]-2-(methylthio)-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-bromo-6-[2,2-dimethylpropyl(methyl)amino]-2-methylsulfanylpyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-bromo-6-[methyl(neopentyl)amino]-2-(methylthio)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C20H28BrN5OS MolecularWeight: 466.43822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)SC)N(C)CC(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)SC)N(C)CC(C)(C)C)Br

InChI

InChI=1S/C20H28BrN5OS/c1-12-8-9-13(18(27)22-5)10-14(12)23-16-15(21)17(25-19(24-16)28-7)26(6)11-20(2,3)4/h8-10H,11H2,1-7H3,(H,22,27)(H,23,24,25)