3-[4-(5-butoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-(5-butoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-butoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-butoxy-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-butoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-butoxypyrimidin-2-yl)phenyl]propiolonitrile Formula: C17H15N3O MolecularWeight: 277.3205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C17H15N3O/c1-2-3-11-21-16-12-19-17(20-13-16)15-8-6-14(7-9-15)5-4-10-18/h6-9,12-13H,2-3,11H2,1H3