5-(2-phenylethynyl)quinazoline-2,4-diamine

Systemtic Name: 5-(2-phenylethynyl)quinazoline-2,4-diamine Openeye Name: 5-(2-phenylethynyl)quinazoline-2,4-diamine CAS Name: 5-(2-phenylethynyl)quinazoline-2,4-diamine IUPAC Name: 5-(2-phenylethynyl)quinazoline-2,4-diamine Traditional Name: [2-amino-5-(2-phenylethynyl)quinazolin-4-yl]amine Formula: C16H12N4 MolecularWeight: 260.29328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C(=CC=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C(=CC=C2)N=C(N=C3N)N

InChI

InChI=1S/C16H12N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-8H,(H4,17,18,19,20)