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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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8no60W20OdJ
Name 2,4-DIMETHYL-6-(PHENYLAMINO)-1-H,2-H-PHTHALAZINO-[2',1':3,4]-PYRIMIDO-[4.5-D]-PYRIMIDINE-1,3-(2-H,4-H)-DIONE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author H.WAMHOFF,A.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,58,6976(1993)
Literature Reference DOI 10.1021/jo00077a013
Molecular Weight 386.413 g/mol
Solvent CD2Cl2
Source File Reference UWMZ1587