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Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-fluorophenyl)imino]-6,7-dihydro-1,3-dimethyl-6-(4-methylphenyl)-
SpectraBase Compound ID KKiyoFSf1yh
InChI InChI=1S/C21H18FN5O2/c1-13-4-10-16(11-5-13)27-12-17-18(25(2)21(29)26(3)19(17)28)24-20(27)23-15-8-6-14(22)7-9-15/h4-12H,1-3H3/b23-20+
InChIKey IXRHMZICUYAOII-BSYVCWPDSA-N
Mol Weight 391.41 g/mol
Molecular Formula C21H18FN5O2
Exact Mass 391.144453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4ChkuRdBUh
Name Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-fluorophenyl)imino]-6,7-dihydro-1,3-dimethyl-6-(4-methylphenyl)-
Alternate Name(s) (7Z)-7-[(4-fluorophenyl)imino]-1,3-dimethyl-6-(4-methylphenyl)-6,7-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 7-(p-fluorophenyl)imino-6-(p-tolyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydropyrimido[4,5-d]pyrimidine
CAS Registry Number 132124-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18FN5O2
InChI InChI=1S/C21H18FN5O2/c1-13-4-10-16(11-5-13)27-12-17-18(25(2)21(29)26(3)19(17)28)24-20(27)23-15-8-6-14(22)7-9-15/h4-12H,1-3H3/b23-20+
InChIKey IXRHMZICUYAOII-BSYVCWPDSA-N
Molecular Weight 391.406 g/mol
SMILES C=12C(C(=O)N(C(N2C)=O)C)=CN(\C(N1)=N\c1ccc(cc1)F)c1ccc(cc1)C
SPLASH splash10-0006-0009000000-14f49f0df9578d680a98
Source of Spectrum F-46-7860-4
Wiley ID 1365339