2-(4-decylphenyl)-5-(3-fluoranyl-5-methyl-decoxy)pyrimidine

Systemtic Name: 2-(4-decylphenyl)-5-(3-fluoranyl-5-methyl-decoxy)pyrimidine Openeye Name: 2-(4-decylphenyl)-5-(3-fluoro-5-methyl-decoxy)pyrimidine CAS Name: 2-(4-decylphenyl)-5-(3-fluoro-5-methyldecoxy)pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-(3-fluoro-5-methyldecoxy)pyrimidine Traditional Name: 2-(4-decylphenyl)-5-(3-fluoro-5-methyl-decoxy)pyrimidine Formula: C31H49FN2O MolecularWeight: 484.731963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CC(C)CCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CC(C)CCCCC)F

InChI

InChI=1S/C31H49FN2O/c1-4-6-8-9-10-11-12-14-16-27-17-19-28(20-18-27)31-33-24-30(25-34-31)35-22-21-29(32)23-26(3)15-13-7-5-2/h17-20,24-26,29H,4-16,21-23H2,1-3H3