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6-[(2',6'-Dimethylphenyl)amino]-1,3-dimethyl-5-(3'-nitrophenyl)-furo[2,3-d]pyrimidine-2,4(11H,3H)-dione

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6-[(2',6'-Dimethylphenyl)amino]-1,3-dimethyl-5-(3'-nitrophenyl)-furo[2,3-d]pyrimidine-2,4(11H,3H)-dione
SpectraBase Compound ID J5mK0g5RHL8
InChI InChI=1S/C22H20N4O5/c1-12-7-5-8-13(2)18(12)23-19-16(14-9-6-10-15(11-14)26(29)30)17-20(27)24(3)22(28)25(4)21(17)31-19/h5-11,23H,1-4H3
InChIKey VQYQFQYPSPIUTM-UHFFFAOYSA-N
Mol Weight 420.43 g/mol
Molecular Formula C22H20N4O5
Exact Mass 420.14337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6Zx7YmpLpp
Name 6-[(2',6'-Dimethylphenyl)amino]-1,3-dimethyl-5-(3'-nitrophenyl)-furo[2,3-D]pyrimidine-2,4(11H,3H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.143369755 u
Formula C22H20N4O5
InChI InChI=1S/C22H20N4O5/c1-12-7-5-8-13(2)18(12)23-19-16(14-9-6-10-15(11-14)26(29)30)17-20(27)24(3)22(28)25(4)21(17)31-19/h5-11,23H,1-4H3
InChIKey VQYQFQYPSPIUTM-UHFFFAOYSA-N
Molecular Weight 420.425 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)C(C2=CC(N(=O)=O)=CC=C2)=C(O1)NC=1C(=CC=CC1C)C