N-[3-(dimethylaminomethyl)-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]ethanamide

Systemtic Name: N-[3-(dimethylaminomethyl)-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]ethanamide Openeye Name: N-[3-(dimethylaminomethyl)-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]acetamide CAS Name: N-[3-(dimethylaminomethyl)-5-[(6-ethynyl-2-quinazolinyl)amino]phenyl]acetamide IUPAC Name: N-[3-(dimethylaminomethyl)-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]acetamide Traditional Name: N-[3-(dimethylaminomethyl)-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]acetamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)NC2=NC=C3C=C(C=CC3=N2)C#C)CN(C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)NC2=NC=C3C=C(C=CC3=N2)C#C)CN(C)C

InChI

InChI=1S/C21H21N5O/c1-5-15-6-7-20-17(8-15)12-22-21(25-20)24-19-10-16(13-26(3)4)9-18(11-19)23-14(2)27/h1,6-12H,13H2,2-4H3,(H,23,27)(H,22,24,25)