4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol

Systemtic Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol CAS Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol Traditional Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CN=CN=C2NC3=CC=C(C=C3)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CN=CN=C2NC3=CC=C(C=C3)O)Cl

InChI

InChI=1S/C18H12ClN3O/c19-15-5-2-13(3-6-15)1-4-14-11-20-12-21-18(14)22-16-7-9-17(23)10-8-16/h2-3,5-12,23H,(H,20,21,22)