methyl 2-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)-1,2-diazirin-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[1-(4-methoxy-6-methyl-2-pyrimidinyl)-3-diazirinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[1-(4-methoxy-6-methylpyrimidin-2-yl)diazirin-3-yl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-2-[[1-(4-methoxy-6-methyl-pyrimidin-2-yl)diazirin-3-yl]thio]butyric acid methyl ester Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-6-5-8(19-3)14-11(13-6)16-12(15-16)21-9(7(2)17)10(18)20-4/h5,9H,1-4H3