2-heptylsulfanyl-5-(4-octoxyphenyl)pyrimidine

Systemtic Name: 2-heptylsulfanyl-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-heptylsulfanyl-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-(heptylthio)-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-heptylsulfanyl-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-(heptylthio)-5-(4-octoxyphenyl)pyrimidine Formula: C25H38N2OS MolecularWeight: 414.64702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCC

InChI

InChI=1S/C25H38N2OS/c1-3-5-7-9-10-12-18-28-24-16-14-22(15-17-24)23-20-26-25(27-21-23)29-19-13-11-8-6-4-2/h14-17,20-21H,3-13,18-19H2,1-2H3