4-[3-[(Z)-3-chloranylbut-2-enyl]sulfanyl-1H-1,2-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-pyrimidin-2-amine

Systemtic Name: 4-[3-[(Z)-3-chloranylbut-2-enyl]sulfanyl-1H-1,2-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-pyrimidin-2-amine Openeye Name: 4-[3-[(Z)-3-chlorobut-2-enyl]sulfanyl-1H-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-pyrimidin-2-amine CAS Name: 4-[3-[[(Z)-3-chlorobut-2-enyl]thio]-1H-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-2-pyrimidinamine IUPAC Name: 4-[3-[(Z)-3-chlorobut-2-enyl]sulfanyl-1H-diazirin-2-ium-2-yl]-5-ethyl-6-methylpyrimidin-2-amine Traditional Name: [4-[3-[[(Z)-3-chlorobut-2-enyl]thio]-1H-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-pyrimidin-2-yl]amine Formula: C12H17ClN5S+ MolecularWeight: 298.81488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[N+]2=C(N2)SCC=C(C)Cl)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1[N+]2=C(N2)SC/C=C(/C)\Cl)N)C

InChI

InChI=1S/C12H16ClN5S/c1-4-9-8(3)15-11(14)16-10(9)18-12(17-18)19-6-5-7(2)13/h5H,4,6H2,1-3H3,(H2,14,15,16)/p+1/b7-5-