2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-5-heptyl-pyrimidine

Systemtic Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-5-heptyl-pyrimidine Openeye Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-heptyl-pyrimidine CAS Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-heptylpyrimidine IUPAC Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-heptylpyrimidine Traditional Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-heptyl-pyrimidine Formula: C31H39FN2S2 MolecularWeight: 522.783163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1F)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1F)C2=CC=C(C=C2)C3=CC=C(C=C3)C4SCC(CS4)CCCC

InChI

InChI=1S/C31H39FN2S2/c1-3-5-7-8-9-11-28-20-33-30(34-29(28)32)26-16-12-24(13-17-26)25-14-18-27(19-15-25)31-35-21-23(22-36-31)10-6-4-2/h12-20,23,31H,3-11,21-22H2,1-2H3