5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione CAS Name: 5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CNC(=S)N=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CNC(=S)N=C2)OC

InChI

InChI=1S/C12H12N2O2S/c1-15-10-4-3-8(5-11(10)16-2)9-6-13-12(17)14-7-9/h3-7H,1-2H3,(H,13,14,17)