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

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-morpholin-4-yl-benzamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-morpholino-benzamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(4-morpholinyl)benzamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-morpholin-4-ylbenzamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-morpholino-benzamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

C1COCCN1C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C23H21N5O2/c24-23-25-15-18(16-26-23)8-7-17-3-1-5-20(13-17)27-22(29)19-4-2-6-21(14-19)28-9-11-30-12-10-28/h1-6,13-16H,9-12H2,(H,27,29)(H2,24,25,26)