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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N)OC

InChI

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