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

Systemtic Name: 2-[4-(2-methylbutylsulfanyl)phenyl]-5-undecyl-pyrimidine Openeye Name: 2-[4-(2-methylbutylsulfanyl)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[4-(2-methylbutylthio)phenyl]-5-undecylpyrimidine IUPAC Name: 2-[4-(2-methylbutylsulfanyl)phenyl]-5-undecylpyrimidine Traditional Name: 2-[4-(2-methylbutylthio)phenyl]-5-undecyl-pyrimidine Formula: C26H40N2S MolecularWeight: 412.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

InChI

InChI=1S/C26H40N2S/c1-4-6-7-8-9-10-11-12-13-14-23-19-27-26(28-20-23)24-15-17-25(18-16-24)29-21-22(3)5-2/h15-20,22H,4-14,21H2,1-3H3