2-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(4-fluoro-1-naphthyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(4-fluoro-1-naphthalenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(4-fluoro-1-naphthyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C21H19FN2S MolecularWeight: 350.452363

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC=C(C4=CC=CC=C34)F

Isomeric SMILES

C1CNC(=NC1)C2=CC=CC=C2SCC3=CC=C(C4=CC=CC=C34)F

InChI

InChI=1S/C21H19FN2S/c22-19-11-10-15(16-6-1-2-7-17(16)19)14-25-20-9-4-3-8-18(20)21-23-12-5-13-24-21/h1-4,6-11H,5,12-14H2,(H,23,24)