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Concept information

Preferred term

(1S,5R) 3 (3 متیل فنیل) سولفونیل 7 [4 (5 پیریمیدینیل) فنیل] 3،6 دیازابیسیکلو[3.1.1] هپتان  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22N4O2S

inchi

  • InChI=1S/C22H22N4O2S/c1-15-3-2-4-19(9-15)29(27,28)26-12-20-22(21(13-26)25-20)17-7-5-16(6-8-17)18-10-23-14-24-11-18/h2-11,14,20-22,25H,12-13H2,1H3/t20-,21+,22?

inchikey

  • OCUSHSOFWHSZMS-CBQGHPETSA-N

mass

  • 406.503

monoisotopicmass

  • 406.14635

smiles

  • CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CN=CN=C5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125102

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