4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(2-fluorophenyl)methylthio]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-6-ethyl-2-[(2-fluorobenzyl)thio]pyrimidine Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2F)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2F)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17FN2O3S/c1-2-14-9-19(26-15-7-8-17-18(10-15)25-12-24-17)23-20(22-14)27-11-13-5-3-4-6-16(13)21/h3-10H,2,11-12H2,1H3