3-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-4-oxidanyl-pent-3-en-2-one

Systemtic Name: 3-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]-4-oxidanyl-pent-3-en-2-one Openeye Name: 3-[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanyl-4-hydroxy-pent-3-en-2-one CAS Name: 3-[[1-(2-amino-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]-4-hydroxy-3-penten-2-one IUPAC Name: 3-[1-(2-amino-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanyl-4-hydroxypent-3-en-2-one Traditional Name: 3-[[1-(2-amino-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]-4-hydroxy-pent-3-en-2-one Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2C(=N2)SC(=C(C)O)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/h4,17H,1-3H3,(H2,12,13,14)