5-dodecyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine

Systemtic Name: 5-dodecyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(2-methylbutylthio)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine Traditional Name: 5-lauryl-2-[4-(2-methylbutylthio)phenyl]pyrimidine Formula: C27H42N2S MolecularWeight: 426.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

InChI

InChI=1S/C27H42N2S/c1-4-6-7-8-9-10-11-12-13-14-15-24-20-28-27(29-21-24)25-16-18-26(19-17-25)30-22-23(3)5-2/h16-21,23H,4-15,22H2,1-3H3