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Concept information

Preferred term

1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3r,6s)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C19H31N5O5

inchi

  • InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16+/m0/s1

inchikey

  • ZKSUBHWMVQQNNI-ARFHVFGLSA-N

mass

  • 409.481

monoisotopicmass

  • 409.23252

smiles

  • CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101302

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