2-but-3-ynyl-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanedinitrile

Systemtic Name: 2-but-3-ynyl-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanedinitrile Openeye Name: 2-but-3-ynyl-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanedinitrile CAS Name: 2-but-3-ynyl-2-[5-(4-methoxyphenyl)-2-pyrimidinyl]propanedinitrile IUPAC Name: 2-but-3-ynyl-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]propanedinitrile Traditional Name: 2-but-3-ynyl-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]malononitrile Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)C(CCC#C)(C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)C(CCC#C)(C#N)C#N

InChI

InChI=1S/C18H14N4O/c1-3-4-9-18(12-19,13-20)17-21-10-15(11-22-17)14-5-7-16(23-2)8-6-14/h1,5-8,10-11H,4,9H2,2H3