2-heptylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine

Systemtic Name: 2-heptylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine Openeye Name: 2-heptylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine CAS Name: 2-(heptylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine IUPAC Name: 2-heptylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine Traditional Name: 2-(heptylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine Formula: C26H40N2OS MolecularWeight: 428.6736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C26H40N2OS/c1-4-6-7-8-12-19-30-26-27-20-24(21-28-26)23-14-16-25(17-15-23)29-18-11-9-10-13-22(3)5-2/h14-17,20-22H,4-13,18-19H2,1-3H3