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11-[4-chloro-6-[(furan-2-ylmethyl)-amino]-[1,3,5]triazin-2-yl]-11-aza-tricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-one
SpectraBase Compound ID JLUKPBp08Qh
InChI InChI=1S/C20H20ClN5O2/c21-18-23-19(22-9-14-3-2-6-28-14)25-20(24-18)26-10-12-7-13(11-26)15-4-1-5-17(27)16(15)8-12/h1-6,12-13,16H,7-11H2,(H,22,23,24,25)
InChIKey NBQZZMQMYBVCCQ-UHFFFAOYSA-N
Mol Weight 397.87 g/mol
Molecular Formula C20H20ClN5O2
Exact Mass 397.130553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhcHnUBBrGZ
Name 11-[4-chloro-6-[(furan-2-ylmethyl)-amino]-[1,3,5]triazin-2-yl]-11-aza-tricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-one
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Formula C20H20ClN5O2
InChI InChI=1S/C20H20ClN5O2/c21-18-23-19(22-9-14-3-2-6-28-14)25-20(24-18)26-10-12-7-13(11-26)15-4-1-5-17(27)16(15)8-12/h1-6,12-13,16H,7-11H2,(H,22,23,24,25)
InChIKey NBQZZMQMYBVCCQ-UHFFFAOYSA-N
Molecular Weight 397.866 g/mol
SMILES N(c1nc(nc(n1)Cl)N1CC2C3=CC=CC(C3CC(C1)C2)=O)Cc1occc1
SPLASH splash10-000t-8910000000-9bf95a9eb14e152fccd3
Synonyms 11-{4-chloro-6-[(2-furylmethyl)amino]-1,3,5-triazin-2-yl}-11-azatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-one
Wiley ID 1443706