2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine

Systemtic Name: 2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine Openeye Name: 2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine CAS Name: 2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-5-propoxypyrimidine IUPAC Name: 2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-5-propoxypyrimidine Traditional Name: 2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-5-propoxy-pyrimidine Formula: C22H26N2O MolecularWeight: 334.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)C

Isomeric SMILES

CCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)C

InChI

InChI=1S/C22H26N2O/c1-3-14-25-21-15-23-22(24-16-21)13-8-18-6-11-20(12-7-18)19-9-4-17(2)5-10-19/h6-7,11-12,15-17,19H,3-5,9-10,14H2,1-2H3