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

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-isopropoxy-benzamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-propan-2-yloxybenzamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-isopropoxy-benzamide Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C22H20N4O2/c1-15(2)28-20-8-4-6-18(12-20)21(27)26-19-7-3-5-16(11-19)9-10-17-13-24-22(23)25-14-17/h3-8,11-15H,1-2H3,(H,26,27)(H2,23,24,25)