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1,3-Dimethyl-5,6-diphenyl-7-[(E)-phenylimino]-6,7-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID FkFgxAjNii
InChI InChI=1S/C26H21N5O2/c1-29-23-21(24(32)30(2)26(29)33)22(18-12-6-3-7-13-18)31(20-16-10-5-11-17-20)25(28-23)27-19-14-8-4-9-15-19/h3-17H,1-2H3/b27-25-
InChIKey OKNFAZALJOBHEM-RFBIWTDZSA-N
Mol Weight 435.49 g/mol
Molecular Formula C26H21N5O2
Exact Mass 435.169525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bd1i7pxQ5VO
Name 1,3-Dimethyl-5,6-diphenyl-7-[(E)-phenylimino]-6,7-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) (7E)-1,3-dimethyl-5,6-diphenyl-7-(phenylimino)-6,7-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 1,3-Dimethyl-7-(N-phenylimino)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Comments Less than 3 mono-isotopic peaks
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Formula C26H21N5O2
InChI InChI=1S/C26H21N5O2/c1-29-23-21(24(32)30(2)26(29)33)22(18-12-6-3-7-13-18)31(20-16-10-5-11-17-20)25(28-23)27-19-14-8-4-9-15-19/h3-17H,1-2H3/b27-25-
InChIKey OKNFAZALJOBHEM-RFBIWTDZSA-N
Molecular Weight 435.487 g/mol
SMILES C1=2C(=N\C(N(C2c2ccccc2)c2ccccc2)=N\c2ccccc2)N(C)C(N(C1=O)C)=O
SPLASH splash10-0a4i-0900100000-79d56b1483e6020b916a
Source of Spectrum H1-35-1094-15
Wiley ID 755010