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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-methyl-benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-methyl-benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-(4-tert-butylphenyl)-4-methylbenzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-methylbenzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-tert-butylphenyl)-4-methyl-benzamide Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C)(C)C)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C)(C)C)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C24H24N4O/c1-16-5-7-19(13-18(16)8-6-17-14-26-23(25)27-15-17)22(29)28-21-11-9-20(10-12-21)24(2,3)4/h5,7,9-15H,1-4H3,(H,28,29)(H2,25,26,27)