4-[[2-azanyl-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[2-azanyl-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[2-amino-5-[2-(4-bromophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol Formula: C18H19BrN4O MolecularWeight: 387.27366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Br)N)O

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Br)N)O

InChI

InChI=1S/C18H19BrN4O/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/h2-3,5-6,11,15-16,24H,7-10H2,(H3,20,21,22,23)