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

Systemtic Name: 3-[[2-azanyl-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Openeye Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide CAS Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)-4-pyrimidinyl]amino]-N-(2-ethyl-3-pyrazolyl)-4-methylbenzamide IUPAC Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methylbenzamide Traditional Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-(2-ethylpyrazol-3-yl)-4-methyl-benzamide Formula: C23H27N9O MolecularWeight: 445.52018

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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)NC4CCCC4)C#N

Isomeric SMILES

CCN1C(=CC=N1)NC(=O)C2=CC(=C(C=C2)C)NC3=C(C(=NC(=N3)N)NC4CCCC4)C#N

InChI

InChI=1S/C23H27N9O/c1-3-32-19(10-11-26-32)29-22(33)15-9-8-14(2)18(12-15)28-21-17(13-24)20(30-23(25)31-21)27-16-6-4-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,29,33)(H4,25,27,28,30,31)