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

Systemtic Name: ethyl 2-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylacetate CAS Name: 2-[[1-(2-amino-5-butyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetic acid ethyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OCC)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OCC)N)C

InChI

InChI=1S/C14H21N5O2S/c1-4-6-7-10-9(3)16-13(15)17-12(10)19-14(18-19)22-8-11(20)21-5-2/h4-8H2,1-3H3,(H2,15,16,17)