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

Systemtic Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanol Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O/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/h2-3,5-6,11-12,16-17,23H,7-10H2,(H,20,21,22)