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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C20H21N5OS

inchi

  • InChI=1S/C20H21N5OS/c26-19-16-11-15(23-20(27)22-13-14-5-4-9-21-12-14)7-8-17(16)24-18-6-2-1-3-10-25(18)19/h4-5,7-9,11-12H,1-3,6,10,13H2,(H2,22,23,27)

inchikey

  • COVXQURWHYHDMN-UHFFFAOYSA-N

mass

  • 379.480

monoisotopicmass

  • 379.14668

smiles

  • C1CCC2=NC3=C(C=C(C=C3)NC(=S)NCC4=CN=CC=C4)C(=O)N2CC1

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112416

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