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

Systemtic Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[5-(2-phenylethynyl)-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[5-(2-phenylethynyl)pyrimidin-4-yl]amino]cyclohexanol Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O/c22-17-10-8-16(9-11-17)21-18-15(12-19-13-20-18)7-6-14-4-2-1-3-5-14/h1-5,12-13,16-17,22H,8-11H2,(H,19,20,21)