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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 > 1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6h-azepino[2,1-b]quinazolin-2-yl)thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinazolines > 1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6h-azepino[2,1-b]quinazolin-2-yl)thiourea

Preferred term

1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6h-azepino[2,1-b]quinazolin-2-yl)thiourea  

Type

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

Broader concept

charge

  • 0

formula

  • C19H26N4OS

inchi

  • InChI=1S/C19H26N4OS/c1-3-4-11-22(2)19(25)20-14-9-10-16-15(13-14)18(24)23-12-7-5-6-8-17(23)21-16/h9-10,13H,3-8,11-12H2,1-2H3,(H,20,25)

inchikey

  • NBSROBPIGKGLNY-UHFFFAOYSA-N

mass

  • 358.503

monoisotopicmass

  • 358.18273

smiles

  • CCCCN(C)C(=S)NC1=CC2=C(C=C1)N=C3CCCCCN3C2=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114236

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