ethyl 2-[(E)-[(cyanoamino)-methylsulfanyl-methylidene]amino]-4-(2-ethoxycarbonylhydrazinyl)-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(E)-[(cyanoamino)-methylsulfanyl-methylidene]amino]-4-(2-ethoxycarbonylhydrazinyl)-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(E)-[(cyanoamino)-methylsulfanyl-methylene]amino]-4-(2-ethoxycarbonylhydrazino)-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-[(E)-[(cyanoamino)-(methylthio)methylidene]amino]-4-(ethoxycarbonylhydrazo)-6-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-[(cyanoamino)-methylsulfanylmethylidene]amino]-4-(2-ethoxycarbonylhydrazinyl)-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(N'-carbethoxyhydrazino)-2-[(E)-[(cyanoamino)-(methylthio)methylene]amino]-6-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H19N7O4S2 MolecularWeight: 413.47516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SC)N=C(NC#N)SC)NNC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SC)/N=C(\NC#N)/SC)NNC(=O)OCC

InChI

InChI=1S/C14H19N7O4S2/c1-5-24-11(22)8-9(20-21-14(23)25-6-2)17-12(18-10(8)26-3)19-13(27-4)16-7-15/h5-6H2,1-4H3,(H,21,23)(H2,16,17,18,19,20)