3-[[5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide

Systemtic Name: 3-[[5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Openeye Name: 3-[[5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide CAS Name: 3-[[5-cyano-6-(propan-2-ylamino)-4-pyrimidinyl]amino]-N-(2-ethyl-3-pyrazolyl)-4-methylbenzamide IUPAC Name: 3-[[5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methylbenzamide Traditional Name: 3-[[5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Formula: C21H24N8O MolecularWeight: 404.46826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)C)NC3=C(C(=NC=N3)NC(C)C)C#N

Isomeric SMILES

CCN1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)C)NC3=C(C(=NC=N3)NC(C)C)C#N

InChI

InChI=1S/C21H24N8O/c1-5-29-18(8-9-25-29)28-21(30)15-7-6-14(4)17(10-15)27-20-16(11-22)19(23-12-24-20)26-13(2)3/h6-10,12-13H,5H2,1-4H3,(H,28,30)(H2,23,24,26,27)