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

Systemtic Name: methyl 2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O2S/c1-4-7-6(2)13-10(12)14-9(7)16-11(15-16)19-5-8(17)18-3/h4-5H2,1-3H3,(H2,12,13,14)