5-(4-hexoxyphenyl)-2-methylsulfanyl-pyrimidine

Systemtic Name: 5-(4-hexoxyphenyl)-2-methylsulfanyl-pyrimidine Openeye Name: 5-(4-hexoxyphenyl)-2-methylsulfanyl-pyrimidine CAS Name: 5-(4-hexoxyphenyl)-2-(methylthio)pyrimidine IUPAC Name: 5-(4-hexoxyphenyl)-2-methylsulfanylpyrimidine Traditional Name: 5-(4-hexoxyphenyl)-2-(methylthio)pyrimidine Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SC

InChI

InChI=1S/C17H22N2OS/c1-3-4-5-6-11-20-16-9-7-14(8-10-16)15-12-18-17(21-2)19-13-15/h7-10,12-13H,3-6,11H2,1-2H3