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2-hexylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine

2-hexylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine

Systemtic Name:2-hexylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine
Openeye Name:2-hexylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine
CAS Name:2-(hexylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine
IUPAC Name:2-hexylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine
Traditional Name:2-(hexylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine
Formula: C25H38N2OS
MolecularWeight: 414.64702
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC


Isomeric SMILES

CCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC


InChI

InChI=1S/C25H38N2OS/c1-4-6-7-11-18-29-25-26-19-23(20-27-25)22-13-15-24(16-14-22)28-17-10-8-9-12-21(3)5-2/h13-16,19-21H,4-12,17-18H2,1-3H3


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