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

Systemtic Name: 3-[[2-azanyl-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Openeye Name: 3-[[2-amino-5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide CAS Name: 3-[[2-amino-5-cyano-6-(propan-2-ylamino)-4-pyrimidinyl]amino]-N-(2-ethyl-3-pyrazolyl)-4-methylbenzamide IUPAC Name: 3-[[2-amino-5-cyano-6-(propan-2-ylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methylbenzamide Traditional Name: 3-[[2-amino-5-cyano-6-(isopropylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Formula: C21H25N9O MolecularWeight: 419.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N9O/c1-5-30-17(8-9-24-30)27-20(31)14-7-6-13(4)16(10-14)26-19-15(11-22)18(25-12(2)3)28-21(23)29-19/h6-10,12H,5H2,1-4H3,(H,27,31)(H4,23,25,26,28,29)