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Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-chlorophenyl)amino]-5,6-dihydro-1,3-dimethyl-6-(4-methylphenyl)-
SpectraBase Compound ID 7IkzwpndJ5M
InChI InChI=1S/C21H20ClN5O2/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/h4-11H,12H2,1-3H3,(H,23,24)
InChIKey CXYICUKUKPURDC-UHFFFAOYSA-N
Mol Weight 409.88 g/mol
Molecular Formula C21H20ClN5O2
Exact Mass 409.130553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0VGcImTBLL
Name Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-chlorophenyl)amino]-5,6-dihydro-1,3-dimethyl-6-(4-methylphenyl)-
CAS Registry Number 132125-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClN5O2
InChI InChI=1S/C21H20ClN5O2/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/h4-11H,12H2,1-3H3,(H,23,24)
InChIKey CXYICUKUKPURDC-UHFFFAOYSA-N
Molecular Weight 409.877 g/mol
SMILES N(C1=NC2=C(C(=O)N(C(N2C)=O)C)CN1c1ccc(cc1)C)c1ccc(cc1)Cl
SPLASH splash10-0aou-9700700000-aa8bcd9231ff09b24988
Source of Spectrum F-46-7863-6
Synonyms 7-(4-Chloroanilino)-1,3-dimethyl-6-(4-methylphenyl)-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 7-(p-chlorophenyl)amino-6-(p-tolyl)-1,3-dimethyl-1,2,3,4,5,6-hexahydropyrimido[4,5-d]pyrimidine
Wiley ID 1373304