O-[2-methylsulfanyl-5-(pyridin-3-ylmethyl)pyrimidin-4-yl] N,N-dimethylcarbamothioate

Systemtic Name: O-[2-methylsulfanyl-5-(pyridin-3-ylmethyl)pyrimidin-4-yl] N,N-dimethylcarbamothioate Openeye Name: O-[2-methylsulfanyl-5-(3-pyridylmethyl)pyrimidin-4-yl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid O-[[2-(methylthio)-5-(3-pyridinylmethyl)-4-pyrimidinyl]] ester IUPAC Name: O-[2-methylsulfanyl-5-(pyridin-3-ylmethyl)pyrimidin-4-yl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid O-[2-(methylthio)-5-(3-pyridylmethyl)pyrimidin-4-yl] ester Formula: C14H16N4OS2 MolecularWeight: 320.43304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)OC1=NC(=NC=C1CC2=CN=CC=C2)SC

Isomeric SMILES

CN(C)C(=S)OC1=NC(=NC=C1CC2=CN=CC=C2)SC

InChI

InChI=1S/C14H16N4OS2/c1-18(2)14(20)19-12-11(9-16-13(17-12)21-3)7-10-5-4-6-15-8-10/h4-6,8-9H,7H2,1-3H3