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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-methyl-N-(3-methyl-4-propan-2-yl-phenyl)benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-isopropyl-3-methyl-phenyl)-4-methyl-benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(4-isopropyl-3-methyl-phenyl)-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/c1-15(2)22-10-9-21(11-17(22)4)28-23(29)20-7-5-16(3)19(12-20)8-6-18-13-26-24(25)27-14-18/h5,7,9-15H,1-4H3,(H,28,29)(H2,25,26,27)