5-(4-undecoxyphenyl)-2-undecylsulfanyl-pyrimidine

Systemtic Name: 5-(4-undecoxyphenyl)-2-undecylsulfanyl-pyrimidine Openeye Name: 5-(4-undecoxyphenyl)-2-undecylsulfanyl-pyrimidine CAS Name: 5-(4-undecoxyphenyl)-2-(undecylthio)pyrimidine IUPAC Name: 5-(4-undecoxyphenyl)-2-undecylsulfanylpyrimidine Traditional Name: 5-(4-undecoxyphenyl)-2-(undecylthio)pyrimidine Formula: C32H52N2OS MolecularWeight: 512.83308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCCCCC

InChI

InChI=1S/C32H52N2OS/c1-3-5-7-9-11-13-15-17-19-25-35-31-23-21-29(22-24-31)30-27-33-32(34-28-30)36-26-20-18-16-14-12-10-8-6-4-2/h21-24,27-28H,3-20,25-26H2,1-2H3