5-[4-(8-methyldecoxy)phenyl]-2-octylsulfanyl-pyrimidine

Systemtic Name: 5-[4-(8-methyldecoxy)phenyl]-2-octylsulfanyl-pyrimidine Openeye Name: 5-[4-(8-methyldecoxy)phenyl]-2-octylsulfanyl-pyrimidine CAS Name: 5-[4-(8-methyldecoxy)phenyl]-2-(octylthio)pyrimidine IUPAC Name: 5-[4-(8-methyldecoxy)phenyl]-2-octylsulfanylpyrimidine Traditional Name: 5-[4-(8-methyldecoxy)phenyl]-2-(octylthio)pyrimidine Formula: C29H46N2OS MolecularWeight: 470.75334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCCC(C)CC

InChI

InChI=1S/C29H46N2OS/c1-4-6-7-8-12-15-22-33-29-30-23-27(24-31-29)26-17-19-28(20-18-26)32-21-14-11-9-10-13-16-25(3)5-2/h17-20,23-25H,4-16,21-22H2,1-3H3