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

Systemtic Name: N-[5-[2-(2-azanylpyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-morpholin-4-yl-benzamide Openeye Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-3-morpholino-benzamide CAS Name: N-[5-[2-(2-amino-5-pyrimidinyl)ethynyl]-3-pyridinyl]-3-(4-morpholinyl)benzamide IUPAC Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]pyridin-3-yl]-3-morpholin-4-ylbenzamide Traditional Name: N-[5-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-pyridyl]-3-morpholino-benzamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O2/c23-22-25-13-17(14-26-22)5-4-16-10-19(15-24-12-16)27-21(29)18-2-1-3-20(11-18)28-6-8-30-9-7-28/h1-3,10-15H,6-9H2,(H,27,29)(H2,23,25,26)