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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > lsm-7583
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > lsm-7583
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > lsm-7583
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > lsm-7583

Preferred term

lsm-7583  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31N5O5S

inchi

  • InChI=1S/C22H31N5O5S/c1-6-7-17-8-18-21(23-9-17)32-19(15(2)10-27(22(18)29)16(3)13-28)11-26(5)33(30,31)20-12-25(4)14-24-20/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3/t15-,16-,19+/m1/s1

inchikey

  • KGPKEHLIXQTDQP-MDZRGWNJSA-N

mass

  • 477.579

monoisotopicmass

  • 477.20459

smiles

  • CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@@H](O2)CN(C)S(=O)(=O)C3=CN(C=N3)C)C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96204

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