4,4-dimethyl-1-phenyl-3-pyrimidin-5-yl-hex-1-yn-3-ol

Systemtic Name: 4,4-dimethyl-1-phenyl-3-pyrimidin-5-yl-hex-1-yn-3-ol Openeye Name: 4,4-dimethyl-1-phenyl-3-pyrimidin-5-yl-hex-1-yn-3-ol CAS Name: 4,4-dimethyl-1-phenyl-3-(5-pyrimidinyl)-1-hexyn-3-ol IUPAC Name: 4,4-dimethyl-1-phenyl-3-pyrimidin-5-ylhex-1-yn-3-ol Traditional Name: 4,4-dimethyl-1-phenyl-3-(5-pyrimidyl)hex-1-yn-3-ol Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C#CC1=CC=CC=C1)(C2=CN=CN=C2)O

Isomeric SMILES

CCC(C)(C)C(C#CC1=CC=CC=C1)(C2=CN=CN=C2)O

InChI

InChI=1S/C18H20N2O/c1-4-17(2,3)18(21,16-12-19-14-20-13-16)11-10-15-8-6-5-7-9-15/h5-9,12-14,21H,4H2,1-3H3