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

Systemtic Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoranyl-5-propyl-pyrimidine Openeye Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-propyl-pyrimidine CAS Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-propylpyrimidine IUPAC Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-propylpyrimidine Traditional Name: 2-[4-[4-(5-butyl-1,3-dithian-2-yl)phenyl]phenyl]-4-fluoro-5-propyl-pyrimidine Formula: C27H31FN2S2 MolecularWeight: 466.676843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC=C(C(=N4)F)CCC

Isomeric SMILES

CCCCC1CSC(SC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC=C(C(=N4)F)CCC

InChI

InChI=1S/C27H31FN2S2/c1-3-5-7-19-17-31-27(32-18-19)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26-29-16-24(6-4-2)25(28)30-26/h8-16,19,27H,3-7,17-18H2,1-2H3