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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

ASP 3026  

Type

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

charge

  • 0

formula

  • C29H40N8O3S

inchi

  • InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)

inchikey

  • MGGBYMDAPCCKCT-UHFFFAOYSA-N

mass

  • 580.750

monoisotopicmass

  • 580.29441

smiles

  • COC1=C(NC2=NC(NC3=CC=CC=C3S(=O)(=O)C(C)C)=NC=N2)C=CC(=C1)N1CCC(CC1)N1CCN(C)CC1

subset

  • 3_STAR

synonym EXACT

  • N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propan-2-ylsulfonyl)phenyl]-1,3,5-triazine-2,4-diamine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167650

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