N'-[5-bromanyl-2-[[3-(pyrrolidin-1-ylcarbonylamino)phenyl]amino]pyrimidin-4-yl]-2,2-dimethyl-propanediamide

Systemtic Name: N'-[5-bromanyl-2-[[3-(pyrrolidin-1-ylcarbonylamino)phenyl]amino]pyrimidin-4-yl]-2,2-dimethyl-propanediamide Openeye Name: N'-[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]-2,2-dimethyl-propanediamide CAS Name: N'-[5-bromo-2-[3-[[oxo(1-pyrrolidinyl)methyl]amino]anilino]-4-pyrimidinyl]-2,2-dimethylpropanediamide IUPAC Name: N'-[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]-2,2-dimethylpropanediamide Traditional Name: N'-[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]-2,2-dimethyl-malonamide Formula: C20H24BrN7O3 MolecularWeight: 490.35366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)C(=O)NC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3

Isomeric SMILES

CC(C)(C(=O)N)C(=O)NC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3

InChI

InChI=1S/C20H24BrN7O3/c1-20(2,16(22)29)17(30)26-15-14(21)11-23-18(27-15)24-12-6-5-7-13(10-12)25-19(31)28-8-3-4-9-28/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,22,29)(H,25,31)(H2,23,24,26,27,30)