2-(6-methyloctylsulfanyl)-5-(4-octoxyphenyl)pyrimidine

Systemtic Name: 2-(6-methyloctylsulfanyl)-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-(6-methyloctylsulfanyl)-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-(6-methyloctylthio)-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-(6-methyloctylsulfanyl)-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-(6-methyloctylthio)-5-(4-octoxyphenyl)pyrimidine Formula: C27H42N2OS MolecularWeight: 442.70018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2OS/c1-4-6-7-8-9-12-19-30-26-17-15-24(16-18-26)25-21-28-27(29-22-25)31-20-13-10-11-14-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3