3-[[2-azanyl-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide

Systemtic Name: 3-[[2-azanyl-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide Openeye Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-isoxazol-3-yl-4-methyl-benzamide CAS Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)-4-pyrimidinyl]amino]-N-(3-isoxazolyl)-4-methylbenzamide IUPAC Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide Traditional Name: 3-[[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-isoxazol-3-yl-4-methyl-benzamide Formula: C21H22N8O2 MolecularWeight: 418.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)NC3=C(C(=NC(=N3)N)NC4CCCC4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)NC3=C(C(=NC(=N3)N)NC4CCCC4)C#N

InChI

InChI=1S/C21H22N8O2/c1-12-6-7-13(20(30)26-17-8-9-31-29-17)10-16(12)25-19-15(11-22)18(27-21(23)28-19)24-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,26,29,30)(H4,23,24,25,27,28)