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3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-4-one, 11-[4-[(4-chlorophenyl)amino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-
SpectraBase Compound ID lOE2ULikXD
InChI InChI=1S/C24H26ClN7O/c25-18-6-8-19(9-7-18)26-22-27-23(30-10-1-2-11-30)29-24(28-22)31-13-16-12-17(15-31)20-4-3-5-21(33)32(20)14-16/h3-9,16-17H,1-2,10-15H2,(H,26,27,28,29)
InChIKey XSDGEAHIOMIJKC-UHFFFAOYSA-N
Mol Weight 463.97 g/mol
Molecular Formula C24H26ClN7O
Exact Mass 463.188736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1HjJkw277Y
Name 3,11-Diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-4-one, 11-[4-[(4-chlorophenyl)amino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-
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Formula C24H26ClN7O
InChI InChI=1S/C24H26ClN7O/c25-18-6-8-19(9-7-18)26-22-27-23(30-10-1-2-11-30)29-24(28-22)31-13-16-12-17(15-31)20-4-3-5-21(33)32(20)14-16/h3-9,16-17H,1-2,10-15H2,(H,26,27,28,29)
InChIKey XSDGEAHIOMIJKC-UHFFFAOYSA-N
Molecular Weight 463.973 g/mol
SMILES N(c1nc(nc(n1)N1CCCC1)N1CC2C3=CC=CC(N3CC(C1)C2)=O)c1ccc(Cl)cc1
SPLASH splash10-0a4i-9212200000-bdd953ece7306e346644
Source of Spectrum IY-1-4629-5
Wiley ID 1654278