6,7-dimethoxy-N-[3-(2-phenylethynyl)phenyl]quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-N-[3-(2-phenylethynyl)phenyl]quinazolin-4-amine Openeye Name: 6,7-dimethoxy-N-[3-(2-phenylethynyl)phenyl]quinazolin-4-amine CAS Name: 6,7-dimethoxy-N-[3-(2-phenylethynyl)phenyl]-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-N-[3-(2-phenylethynyl)phenyl]quinazolin-4-amine Traditional Name: (6,7-dimethoxyquinazolin-4-yl)-[3-(2-phenylethynyl)phenyl]amine Formula: C24H19N3O2 MolecularWeight: 381.42656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H19N3O2/c1-28-22-14-20-21(15-23(22)29-2)25-16-26-24(20)27-19-10-6-9-18(13-19)12-11-17-7-4-3-5-8-17/h3-10,13-16H,1-2H3,(H,25,26,27)