3-[[5-bromanyl-6-(2,2-dimethylpropylamino)-2-(methylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[5-bromanyl-6-(2,2-dimethylpropylamino)-2-(methylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-bromo-6-(2,2-dimethylpropylamino)-2-(methylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-bromo-6-(2,2-dimethylpropylamino)-2-(methylamino)-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-bromo-6-(2,2-dimethylpropylamino)-2-(methylamino)pyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-bromo-2-(methylamino)-6-(neopentylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C19H27BrN6O MolecularWeight: 435.36128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)NC)NCC(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)NC)NCC(C)(C)C)Br

InChI

InChI=1S/C19H27BrN6O/c1-11-7-8-12(17(27)21-5)9-13(11)24-16-14(20)15(23-10-19(2,3)4)25-18(22-6)26-16/h7-9H,10H2,1-6H3,(H,21,27)(H3,22,23,24,25,26)