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

Systemtic Name: 3-[[1-(2-azanyl-5-ethyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[1-(2-amino-5-ethyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]pentane-2,4-dione IUPAC Name: 3-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[1-(2-amino-5-ethyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]pentane-2,4-dione Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)C)N)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2C(=N2)SC(C(=O)C)C(=O)C)N)C

InChI

InChI=1S/C13H17N5O2S/c1-5-9-6(2)15-12(14)16-11(9)18-13(17-18)21-10(7(3)19)8(4)20/h10H,5H2,1-4H3,(H2,14,15,16)