methyl (3Z)-3-(aminocarbonylhydrazinylidene)-2-pyrimidin-2-ylsulfanyl-butanoate

Systemtic Name: methyl (3Z)-3-(aminocarbonylhydrazinylidene)-2-pyrimidin-2-ylsulfanyl-butanoate Openeye Name: methyl (3Z)-3-(carbamoylhydrazono)-2-pyrimidin-2-ylsulfanyl-butanoate CAS Name: (3Z)-3-(carbamoylhydrazinylidene)-2-(2-pyrimidinylthio)butanoic acid methyl ester IUPAC Name: methyl (3Z)-3-(carbamoylhydrazinylidene)-2-pyrimidin-2-ylsulfanylbutanoate Traditional Name: (3Z)-2-(2-pyrimidylthio)-3-semicarbazono-butyric acid methyl ester Formula: C10H13N5O3S MolecularWeight: 283.30692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)C(C(=O)OC)SC1=NC=CC=N1

Isomeric SMILES

C/C(=N/NC(=O)N)/C(C(=O)OC)SC1=NC=CC=N1

InChI

InChI=1S/C10H13N5O3S/c1-6(14-15-9(11)17)7(8(16)18-2)19-10-12-4-3-5-13-10/h3-5,7H,1-2H3,(H3,11,15,17)/b14-6-