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

Systemtic Name: 3-[[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide Openeye Name: 3-[[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-isoxazol-3-yl-4-methyl-benzamide CAS Name: 3-[[5-cyano-6-(cyclopentylamino)-4-pyrimidinyl]amino]-N-(3-isoxazolyl)-4-methylbenzamide IUPAC Name: 3-[[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide Traditional Name: 3-[[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino]-N-isoxazol-3-yl-4-methyl-benzamide Formula: C21H21N7O2 MolecularWeight: 403.43714

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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)NC4CCCC4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O2/c1-13-6-7-14(21(29)27-18-8-9-30-28-18)10-17(13)26-20-16(11-22)19(23-12-24-20)25-15-4-2-3-5-15/h6-10,12,15H,2-5H2,1H3,(H,27,28,29)(H2,23,24,25,26)