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

Systemtic Name: 5-heptyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine Openeye Name: 5-heptyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-(2-methylbutylthio)phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[4-(2-methylbutylsulfanyl)phenyl]pyrimidine Traditional Name: 5-heptyl-2-[4-(2-methylbutylthio)phenyl]pyrimidine Formula: C22H32N2S MolecularWeight: 356.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

InChI

InChI=1S/C22H32N2S/c1-4-6-7-8-9-10-19-15-23-22(24-16-19)20-11-13-21(14-12-20)25-17-18(3)5-2/h11-16,18H,4-10,17H2,1-3H3