3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(5-cyclohexyl-2-methoxy-phenyl)-4-methyl-benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(5-cyclohexyl-2-methoxy-phenyl)-4-methyl-benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-cyclohexyl-2-methoxy-phenyl)-4-methyl-benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-(5-cyclohexyl-2-methoxyphenyl)-4-methylbenzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-cyclohexyl-2-methoxyphenyl)-4-methylbenzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(5-cyclohexyl-2-methoxy-phenyl)-4-methyl-benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3CCCCC3)OC)C#CC4=CN=C(N=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3CCCCC3)OC)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C27H28N4O2/c1-18-8-10-23(14-21(18)11-9-19-16-29-27(28)30-17-19)26(32)31-24-15-22(12-13-25(24)33-2)20-6-4-3-5-7-20/h8,10,12-17,20H,3-7H2,1-2H3,(H,31,32)(H2,28,29,30)