methyl 2-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[1-(2-azanyl-5-butyl-6-methyl-pyrimidin-4-yl)-1,2-diazirin-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]sulfanylacetate CAS Name: 2-[[1-(2-amino-5-butyl-6-methyl-4-pyrimidinyl)-3-diazirinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)diazirin-3-yl]sulfanylacetate Traditional Name: 2-[[1-(2-amino-5-butyl-6-methyl-pyrimidin-4-yl)diazirin-3-yl]thio]acetic acid methyl ester Formula: C13H19N5O2S MolecularWeight: 309.38726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OC)N)C

Isomeric SMILES

CCCCC1=C(N=C(N=C1N2C(=N2)SCC(=O)OC)N)C

InChI

InChI=1S/C13H19N5O2S/c1-4-5-6-9-8(2)15-12(14)16-11(9)18-13(17-18)21-7-10(19)20-3/h4-7H2,1-3H3,(H2,14,15,16)