1-butyl-4-(4-hexoxyphenyl)pyrimidine-2-thione

Systemtic Name: 1-butyl-4-(4-hexoxyphenyl)pyrimidine-2-thione Openeye Name: 1-butyl-4-(4-hexoxyphenyl)pyrimidine-2-thione CAS Name: 1-butyl-4-(4-hexoxyphenyl)-2-pyrimidinethione IUPAC Name: 1-butyl-4-(4-hexoxyphenyl)pyrimidine-2-thione Traditional Name: 1-butyl-4-(4-hexoxyphenyl)pyrimidine-2-thione Formula: C20H28N2OS MolecularWeight: 344.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC(=S)N(C=C2)CCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC(=S)N(C=C2)CCCC

InChI

InChI=1S/C20H28N2OS/c1-3-5-7-8-16-23-18-11-9-17(10-12-18)19-13-15-22(14-6-4-2)20(24)21-19/h9-13,15H,3-8,14,16H2,1-2H3