N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-2,2-dimethyl-oxane-4-carboxamide

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-2,2-dimethyl-oxane-4-carboxamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-2,2-dimethyl-tetrahydropyran-4-carboxamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-2,2-dimethyl-4-oxanecarboxamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-2,2-dimethyloxane-4-carboxamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-2,2-dimethyl-tetrahydropyran-4-carboxamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N)C

Isomeric SMILES

CC1(CC(CCO1)C(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N)C

InChI

InChI=1S/C20H22N4O2/c1-20(2)11-16(8-9-26-20)18(25)24-17-5-3-4-14(10-17)6-7-15-12-22-19(21)23-13-15/h3-5,10,12-13,16H,8-9,11H2,1-2H3,(H,24,25)(H2,21,22,23)