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

Systemtic Name: 4-[[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol Openeye Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol CAS Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]phenol IUPAC Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol Traditional Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]phenol Formula: C18H13ClN4O MolecularWeight: 336.77502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)23-17(13)22-15-7-9-16(24)10-8-15/h2-3,5-11,24H,(H3,20,21,22,23)