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

Systemtic Name: 2-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanamide Openeye Name: 2-[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylacetamide CAS Name: 2-[[1-(2-amino-5-butyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetamide IUPAC Name: 2-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetamide Traditional Name: 2-[[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetamide Formula: C12H18N6OS MolecularWeight: 294.37592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6OS/c1-3-4-5-8-7(2)15-11(14)16-10(8)18-12(17-18)20-6-9(13)19/h3-6H2,1-2H3,(H2,13,19)(H2,14,15,16)