4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxyphenol

Systemtic Name: 4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxyphenol Openeye Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxyphenol CAS Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]oxy]phenol IUPAC Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxyphenol Traditional Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxyphenol Formula: C18H12ClN3O2 MolecularWeight: 337.75978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CN=C(N=C2OC3=CC=C(C=C3)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CN=C(N=C2OC3=CC=C(C=C3)O)N)Cl

InChI

InChI=1S/C18H12ClN3O2/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)22-17(13)24-16-9-7-15(23)8-10-16/h2-3,5-11,23H,(H2,20,21,22)