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

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-4-chloranyl-N-(3-methyl-4-propan-2-yl-phenyl)benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-chloro-N-(4-isopropyl-3-methyl-phenyl)benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-4-chloro-N-(3-methyl-4-propan-2-ylphenyl)benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-chloro-N-(3-methyl-4-propan-2-ylphenyl)benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-chloro-N-(4-isopropyl-3-methyl-phenyl)benzamide Formula: C23H21ClN4O MolecularWeight: 404.89204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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