2-decylsulfanyl-5-(4-heptoxyphenyl)pyrimidine

Systemtic Name: 2-decylsulfanyl-5-(4-heptoxyphenyl)pyrimidine Openeye Name: 2-decylsulfanyl-5-(4-heptoxyphenyl)pyrimidine CAS Name: 2-(decylthio)-5-(4-heptoxyphenyl)pyrimidine IUPAC Name: 2-decylsulfanyl-5-(4-heptoxyphenyl)pyrimidine Traditional Name: 2-(decylthio)-5-(4-heptoxyphenyl)pyrimidine Formula: C27H42N2OS MolecularWeight: 442.70018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCC

InChI

InChI=1S/C27H42N2OS/c1-3-5-7-9-10-11-13-15-21-31-27-28-22-25(23-29-27)24-16-18-26(19-17-24)30-20-14-12-8-6-4-2/h16-19,22-23H,3-15,20-21H2,1-2H3