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

Systemtic Name: 2-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylacetonitrile CAS Name: 2-[[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetonitrile IUPAC Name: 2-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetonitrile Formula: C10H12N6S MolecularWeight: 248.30748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SCC#N)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SCC#N)N)C

InChI

InChI=1S/C10H12N6S/c1-3-7-6(2)13-9(12)14-8(7)16-10(15-16)17-5-4-11/h3,5H2,1-2H3,(H2,12,13,14)