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 > organonitrogen compound > tan-1057c
organooxygen compound > tan-1057c

Preferred term

tan-1057c  

Type

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

Broader concept

charge

  • 0

formula

  • C13H25N9O3

has_functional_parent

inchi

  • InChI=1S/C13H25N9O3/c1-22-8(6-19-12(16)21-13(17)25)10(24)20-7(5-9(22)23)3-2-4-18-11(14)15/h7-8H,2-6H2,1H3,(H,20,24)(H4,14,15,18)(H5,16,17,19,21,25)/t7?,8-/m1/s1

inchikey

  • WXDPPHZLBSPZOA-BRFYHDHCSA-N

mass

  • 355.403

monoisotopicmass

  • 355.20804

smiles

  • O=C1NC(CC(N([C@@H]1CN=C(NC(=O)N)N)C)=O)CCCN=C(N)N

subset

  • 2_STAR

synonym EXACT

  • [N'-[[(2R)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]carbamimidoyl]urea

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213262

Download this concept:

RDF/XML TURTLE JSON-LD