6-[4-(2-phenylethynyl)phenyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[4-(2-phenylethynyl)phenyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[4-(2-phenylethynyl)phenyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[4-(2-phenylethynyl)phenyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[4-(2-phenylethynyl)phenyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[4-(2-phenylethynyl)phenyl]-s-triazin-2-yl]amine Formula: C17H13N5 MolecularWeight: 287.31862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N

InChI

InChI=1S/C17H13N5/c18-16-20-15(21-17(19)22-16)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H4,18,19,20,21,22)