2-[4-(4-but-3-ynylphenoxy)phenyl]-5-methyl-pyrimidine

Systemtic Name: 2-[4-(4-but-3-ynylphenoxy)phenyl]-5-methyl-pyrimidine Openeye Name: 2-[4-(4-but-3-ynylphenoxy)phenyl]-5-methyl-pyrimidine CAS Name: 2-[4-(4-but-3-ynylphenoxy)phenyl]-5-methylpyrimidine IUPAC Name: 2-[4-(4-but-3-ynylphenoxy)phenyl]-5-methylpyrimidine Traditional Name: 2-[4-(4-but-3-ynylphenoxy)phenyl]-5-methyl-pyrimidine Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)CCC#C

Isomeric SMILES

CC1=CN=C(N=C1)C2=CC=C(C=C2)OC3=CC=C(C=C3)CCC#C

InChI

InChI=1S/C21H18N2O/c1-3-4-5-17-6-10-19(11-7-17)24-20-12-8-18(9-13-20)21-22-14-16(2)15-23-21/h1,6-15H,4-5H2,2H3