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Concept information

Preferred term

ms-566  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C20H19ClN4O2S

inchi

  • InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m1/s1

inchikey

  • GGRCIHACOIMRKY-OAHLLOKOSA-N

is_enantiomer_of

mass

  • 414.90800

monoisotopicmass

  • 414.09172

smiles

  • COC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1

subset

  • 3_STAR

synonym EXACT

  • methyl [(6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84982

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