N-[4-[[3-(dimethylamino)phenyl]amino]quinazolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[[3-(dimethylamino)phenyl]amino]quinazolin-6-yl]but-2-ynamide Openeye Name: N-[4-[3-(dimethylamino)anilino]quinazolin-6-yl]but-2-ynamide CAS Name: N-[4-[3-(dimethylamino)anilino]-6-quinazolinyl]-2-butynamide IUPAC Name: N-[4-[3-(dimethylamino)anilino]quinazolin-6-yl]but-2-ynamide Traditional Name: N-[4-[3-(dimethylamino)anilino]quinazolin-6-yl]but-2-ynamide Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)N(C)C

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)N(C)C

InChI

InChI=1S/C20H19N5O/c1-4-6-19(26)23-15-9-10-18-17(12-15)20(22-13-21-18)24-14-7-5-8-16(11-14)25(2)3/h5,7-13H,1-3H3,(H,23,26)(H,21,22,24)