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

Systemtic Name: 5-(4-heptoxyphenyl)-2-heptylsulfanyl-pyrimidine Openeye Name: 5-(4-heptoxyphenyl)-2-heptylsulfanyl-pyrimidine CAS Name: 5-(4-heptoxyphenyl)-2-(heptylthio)pyrimidine IUPAC Name: 5-(4-heptoxyphenyl)-2-heptylsulfanylpyrimidine Traditional Name: 5-(4-heptoxyphenyl)-2-(heptylthio)pyrimidine Formula: C24H36N2OS MolecularWeight: 400.62044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCC

InChI

InChI=1S/C24H36N2OS/c1-3-5-7-9-11-17-27-23-15-13-21(14-16-23)22-19-25-24(26-20-22)28-18-12-10-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3