2-(4-octan-2-ylsulfanylphenyl)-5-undecyl-pyrimidine

Systemtic Name: 2-(4-octan-2-ylsulfanylphenyl)-5-undecyl-pyrimidine Openeye Name: 2-[4-(1-methylheptylsulfanyl)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[4-(octan-2-ylthio)phenyl]-5-undecylpyrimidine IUPAC Name: 2-(4-octan-2-ylsulfanylphenyl)-5-undecylpyrimidine Traditional Name: 2-[4-(1-methylheptylthio)phenyl]-5-undecyl-pyrimidine Formula: C29H46N2S MolecularWeight: 454.75394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

InChI

InChI=1S/C29H46N2S/c1-4-6-8-10-11-12-13-14-16-18-26-23-30-29(31-24-26)27-19-21-28(22-20-27)32-25(3)17-15-9-7-5-2/h19-25H,4-18H2,1-3H3