5-heptoxy-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine

Systemtic Name: 5-heptoxy-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine Openeye Name: 5-heptoxy-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine CAS Name: 5-heptoxy-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine IUPAC Name: 5-heptoxy-2-[4-(trifluoromethylsulfonyl)phenyl]pyrimidine Traditional Name: 5-heptoxy-2-(4-triflylphenyl)pyrimidine Formula: C18H21F3N2O3S MolecularWeight: 402.43115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H21F3N2O3S/c1-2-3-4-5-6-11-26-15-12-22-17(23-13-15)14-7-9-16(10-8-14)27(24,25)18(19,20)21/h7-10,12-13H,2-6,11H2,1H3