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

Systemtic Name: 3-[[5-bromanyl-6-(2,2-dimethylpropylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-bromo-6-(2,2-dimethylpropylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-bromo-6-(2,2-dimethylpropylamino)-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-bromo-6-(2,2-dimethylpropylamino)pyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-bromo-6-(neopentylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C18H24BrN5O MolecularWeight: 406.32006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN5O/c1-11-6-7-12(17(25)20-5)8-13(11)24-16-14(19)15(22-10-23-16)21-9-18(2,3)4/h6-8,10H,9H2,1-5H3,(H,20,25)(H2,21,22,23,24)