N-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: N-[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]-2-[(3,4-dimethoxyphenyl)thio]acetamide IUPAC Name: N-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide Traditional Name: N-[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]-2-[(3,4-dimethoxyphenyl)thio]acetamide Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=C(C(=NC(=N2)N)SC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=C(C(=NC(=N2)N)SC)C#N)OC

InChI

InChI=1S/C16H17N5O3S2/c1-23-11-5-4-9(6-12(11)24-2)26-8-13(22)19-14-10(7-17)15(25-3)21-16(18)20-14/h4-6H,8H2,1-3H3,(H3,18,19,20,21,22)