methyl 4-(pyrimidin-2-ylmethylcarbamothioylsulfanyl)butanoate

Systemtic Name: methyl 4-(pyrimidin-2-ylmethylcarbamothioylsulfanyl)butanoate Openeye Name: methyl 4-(pyrimidin-2-ylmethylcarbamothioylsulfanyl)butanoate CAS Name: 4-[[(2-pyrimidinylmethylamino)-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-(pyrimidin-2-ylmethylcarbamothioylsulfanyl)butanoate Traditional Name: 4-(2-pyrimidylmethylthiocarbamoylthio)butyric acid methyl ester Formula: C11H15N3O2S2 MolecularWeight: 285.3857

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCC1=NC=CC=N1

Isomeric SMILES

COC(=O)CCCSC(=S)NCC1=NC=CC=N1

InChI

InChI=1S/C11H15N3O2S2/c1-16-10(15)4-2-7-18-11(17)14-8-9-12-5-3-6-13-9/h3,5-6H,2,4,7-8H2,1H3,(H,14,17)