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

Systemtic Name: 4-[3-[[2-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-1,2-diazirin-2-ium-3-yl]disulfanyl]-1,2-diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-amine Openeye Name: 4-[3-[[2-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-diazirin-2-ium-3-yl]disulfanyl]diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-amine CAS Name: 4-[3-[[2-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-1H-diazirin-2-ium-3-yl]disulfanyl]-1-diazirinyl]-5-ethyl-6-methyl-2-pyrimidinamine IUPAC Name: 4-[3-[[2-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)-1H-diazirin-2-ium-3-yl]disulfanyl]diazirin-1-yl]-5-ethyl-6-methylpyrimidin-2-amine Traditional Name: [4-[3-[[2-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)-1H-diazirin-2-ium-3-yl]disulfanyl]diazirin-1-yl]-5-ethyl-6-methyl-pyrimidin-2-yl]amine Formula: C16H21N10S2+ MolecularWeight: 417.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SSC3=[N+](N3)C4=NC(=NC(=C4CC)C)N)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SSC3=[N+](N3)C4=NC(=NC(=C4CC)C)N)N)C

InChI

InChI=1S/C16H20N10S2/c1-5-9-7(3)19-13(17)21-11(9)25-15(23-25)27-28-16-24-26(16)12-10(6-2)8(4)20-14(18)22-12/h5-6H2,1-4H3,(H4,17,18,19,20,21,22)/p+1