skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 1-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea

Preferred term

1-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28FN3O6

inchi

  • InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18+,22-,24-/m0/s1

inchikey

  • RREKHFLFIWGNNG-YDGOEMPPSA-N

mass

  • 485.506

monoisotopicmass

  • 485.19621

smiles

  • C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102779

Download this concept:

RDF/XML TURTLE JSON-LD