N-[4-(quinolin-5-ylamino)quinazolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-(quinolin-5-ylamino)quinazolin-6-yl]but-2-ynamide Openeye Name: N-[4-(5-quinolylamino)quinazolin-6-yl]but-2-ynamide CAS Name: N-[4-(5-quinolinylamino)-6-quinazolinyl]-2-butynamide IUPAC Name: N-[4-(quinolin-5-ylamino)quinazolin-6-yl]but-2-ynamide Traditional Name: N-[4-(5-quinolylamino)quinazolin-6-yl]but-2-ynamide Formula: C21H15N5O MolecularWeight: 353.3767

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H15N5O/c1-2-5-20(27)25-14-9-10-18-16(12-14)21(24-13-23-18)26-19-8-3-7-17-15(19)6-4-11-22-17/h3-4,6-13H,1H3,(H,25,27)(H,23,24,26)