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

Systemtic Name: 5-heptyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Openeye Name: 5-heptyl-2-[4-(1-methylheptylsulfanyl)phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-(octan-2-ylthio)phenyl]pyrimidine IUPAC Name: 5-heptyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Traditional Name: 5-heptyl-2-[4-(1-methylheptylthio)phenyl]pyrimidine Formula: C25H38N2S MolecularWeight: 398.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

InChI

InChI=1S/C25H38N2S/c1-4-6-8-10-12-14-22-19-26-25(27-20-22)23-15-17-24(18-16-23)28-21(3)13-11-9-7-5-2/h15-21H,4-14H2,1-3H3