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

Systemtic Name: 3-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylpentane-2,4-dione CAS Name: 3-[[1-(2-amino-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]pentane-2,4-dione IUPAC Name: 3-[1-(2-amino-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylpentane-2,4-dione Traditional Name: 3-[[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]pentane-2,4-dione Formula: C11H13N5O2S MolecularWeight: 279.31822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2C(=N2)SC(C(=O)C)C(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2C(=N2)SC(C(=O)C)C(=O)C

InChI

InChI=1S/C11H13N5O2S/c1-5-4-8(14-10(12)13-5)16-11(15-16)19-9(6(2)17)7(3)18/h4,9H,1-3H3,(H2,12,13,14)