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2,4-Dimethyl-6-(phenylamino)-1H,2H-phthalazino[2',1':3,4]pyrimido[4,5-d]pyrimidine-1,3-(2H,4H)-dione
SpectraBase Compound ID JCisnhwWnfI
InChI InChI=1S/C21H18N6O2/c1-25-18-16(19(28)26(2)21(25)29)17-15-11-7-6-8-13(15)12-22-27(17)20(24-18)23-14-9-4-3-5-10-14/h3-12,17H,1-2H3,(H,23,24)
InChIKey LTFGYPFLLODOOM-UHFFFAOYSA-N
Mol Weight 386.42 g/mol
Molecular Formula C21H18N6O2
Exact Mass 386.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvvE7LbqkS1
Name 2,4-Dimethyl-6-(phenylamino)-1H,2H-phthalazino[2',1':3,4]pyrimido[4,5-d]pyrimidine-1,3-(2H,4H)-dione
Comments Less than 3 mono-isotopic peaks
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Formula C21H18N6O2
InChI InChI=1S/C21H18N6O2/c1-25-18-16(19(28)26(2)21(25)29)17-15-11-7-6-8-13(15)12-22-27(17)20(24-18)23-14-9-4-3-5-10-14/h3-12,17H,1-2H3,(H,23,24)
InChIKey LTFGYPFLLODOOM-UHFFFAOYSA-N
Molecular Weight 386.415 g/mol
SMILES N(C1=NC2=C(C(=O)N(C(N2C)=O)C)C2c3c(cccc3)C=NN12)c1ccccc1
SPLASH splash10-000i-0009000000-a6d41b0047af205edb5d
Source of Spectrum J-58-6983-15
Synonyms 6-anilino-2,4-dimethylpyrimido[4',5':5,6][1,2,4]triazino[1,2-b]phthalazine-1,3(2H,4H)-dione
Wiley ID 1362587