4-(2-methyl-4-pyrimidin-2-yl-but-3-yn-2-yl)oxybenzenecarbonitrile

Systemtic Name: 4-(2-methyl-4-pyrimidin-2-yl-but-3-yn-2-yl)oxybenzenecarbonitrile Openeye Name: 4-(1,1-dimethyl-3-pyrimidin-2-yl-prop-2-ynoxy)benzonitrile CAS Name: 4-[2-methyl-4-(2-pyrimidinyl)but-3-yn-2-yl]oxybenzonitrile IUPAC Name: 4-(2-methyl-4-pyrimidin-2-ylbut-3-yn-2-yl)oxybenzonitrile Traditional Name: 4-[1,1-dimethyl-3-(2-pyrimidyl)prop-2-ynoxy]benzonitrile Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC=CC=N1)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C#CC1=NC=CC=N1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13N3O/c1-16(2,9-8-15-18-10-3-11-19-15)20-14-6-4-13(12-17)5-7-14/h3-7,10-11H,1-2H3