3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-chloranyl-benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-chloranyl-benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-chloro-benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-(4-tert-butylphenyl)-4-chlorobenzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-chlorobenzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-chloro-benzamide Formula: C23H21ClN4O MolecularWeight: 404.89204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C23H21ClN4O/c1-23(2,3)18-7-9-19(10-8-18)28-21(29)17-6-11-20(24)16(12-17)5-4-15-13-26-22(25)27-14-15/h6-14H,1-3H3,(H,28,29)(H2,25,26,27)