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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1h-quinazolin-4-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1h-quinazolin-4-one

Preferred term

2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1h-quinazolin-4-one  

Type

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

Broader concept

charge

  • 0

formula

  • C17H19N9OS

inchi

  • InChI=1S/C17H19N9OS/c1-3-18-14-22-15(19-4-2)26-16(23-14)24-25-17(26)28-9-12-20-11-8-6-5-7-10(11)13(27)21-12/h5-8H,3-4,9H2,1-2H3,(H,20,21,27)(H2,18,19,22,23,24)

inchikey

  • IECJXZRDSYZSHQ-UHFFFAOYSA-N

mass

  • 397.459

monoisotopicmass

  • 397.14333

smiles

  • CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC3=NC(=O)C4=CC=CC=C4N3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121980

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