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

Systemtic Name: 4-[3-[(2S)-butan-2-yl]sulfanyl-1H-1,2-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-pyrimidin-2-amine Openeye Name: 5-ethyl-4-methyl-6-[3-[(1S)-1-methylpropyl]sulfanyl-1H-diazirin-2-ium-2-yl]pyrimidin-2-amine CAS Name: 4-[3-[[(2S)-butan-2-yl]thio]-1H-diazirin-2-ium-2-yl]-5-ethyl-6-methyl-2-pyrimidinamine IUPAC Name: 4-[3-[(2S)-butan-2-yl]sulfanyl-1H-diazirin-2-ium-2-yl]-5-ethyl-6-methylpyrimidin-2-amine Traditional Name: [5-ethyl-4-methyl-6-[3-[[(1S)-1-methylpropyl]thio]-1H-diazirin-2-ium-2-yl]pyrimidin-2-yl]amine Formula: C12H20N5S+ MolecularWeight: 266.3857

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[N+]2=C(N2)SC(C)CC)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1[N+]2=C(N2)S[C@@H](C)CC)N)C

InChI

InChI=1S/C12H19N5S/c1-5-7(3)18-12-16-17(12)10-9(6-2)8(4)14-11(13)15-10/h7H,5-6H2,1-4H3,(H2,13,14,15)/p+1/t7-,17?/m0/s1