ethyl 2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylacetate CAS Name: 2-[[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetic acid ethyl ester Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OCC)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OCC)N)C

InChI

InChI=1S/C12H17N5O2S/c1-4-8-7(3)14-11(13)15-10(8)17-12(16-17)20-6-9(18)19-5-2/h4-6H2,1-3H3,(H2,13,14,15)