2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C15H12N6OS3 MolecularWeight: 388.49038

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C15H12N6OS3/c1-23-12-8(6-16)13(21-14(17)20-12)24-7-11(22)19-15-18-9-4-2-3-5-10(9)25-15/h2-5H,7H2,1H3,(H2,17,20,21)(H,18,19,22)