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

Systemtic Name: 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-hexoxy-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]propiolonitrile Formula: C19H19N3O MolecularWeight: 305.37366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C19H19N3O/c1-2-3-4-5-13-23-18-14-21-19(22-15-18)17-10-8-16(9-11-17)7-6-12-20/h8-11,14-15H,2-5,13H2,1H3