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

Systemtic Name: methyl 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylacetate CAS Name: 2-[[1-(2-amino-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetic acid methyl ester Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O2S/c1-5-3-6(12-8(10)11-5)14-9(13-14)17-4-7(15)16-2/h3H,4H2,1-2H3,(H2,10,11,12)