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

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-methoxy-benzamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-methoxy-benzamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-methoxybenzamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-methoxybenzamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-methoxy-benzamide Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H16N4O2/c1-26-18-7-3-5-16(11-18)19(25)24-17-6-2-4-14(10-17)8-9-15-12-22-20(21)23-13-15/h2-7,10-13H,1H3,(H,24,25)(H2,21,22,23)