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

Systemtic Name: 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile Openeye Name: 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile CAS Name: 3-[4-(5-pentoxy-2-pyrimidinyl)phenyl]-2-propynenitrile IUPAC Name: 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]prop-2-ynenitrile Traditional Name: 3-[4-(5-amoxypyrimidin-2-yl)phenyl]propiolonitrile Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C18H17N3O/c1-2-3-4-12-22-17-13-20-18(21-14-17)16-9-7-15(8-10-16)6-5-11-19/h7-10,13-14H,2-4,12H2,1H3