S-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,2-diazirin-3-yl]] carbamothioate

Systemtic Name: S-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,2-diazirin-3-yl]] carbamothioate Openeye Name: S-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl] carbamothioate CAS Name: carbamothioic acid S-[[1-(4-methoxy-6-methyl-2-pyrimidinyl)-3-diazirinyl]] ester IUPAC Name: S-[1-(4-methoxy-6-methylpyrimidin-2-yl)diazirin-3-yl] carbamothioate Traditional Name: thiocarbamic acid S-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl] ester Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=N2)SC(=O)N)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=N2)SC(=O)N)OC

InChI

InChI=1S/C8H9N5O2S/c1-4-3-5(15-2)11-7(10-4)13-8(12-13)16-6(9)14/h3H,1-2H3,(H2,9,14)