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4-Methylene-1-benzyl-6-phenyl-3,5-dimethyl-1H,3H,6H-pyrimido[4,5-d]pyrimidine-2,7-dione

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4-Methylene-1-benzyl-6-phenyl-3,5-dimethyl-1H,3H,6H-pyrimido[4,5-d]pyrimidine-2,7-dione
SpectraBase Compound ID AOSykuBDSZU
InChI InChI=1S/C22H20N4O2/c1-15-18-19(17-12-8-5-9-13-17)25(3)21(27)23-20(18)26(22(28)24(15)2)14-16-10-6-4-7-11-16/h4-13H,1,14H2,2-3H3
InChIKey CXZGEXWHNFTVMJ-UHFFFAOYSA-N
Mol Weight 372.43 g/mol
Molecular Formula C22H20N4O2
Exact Mass 372.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LE7D5HrOCrR
Name 4-Methylene-1-benzyl-6-phenyl-3,5-dimethyl-1H,3H,6H-pyrimido[4,5-D]pyrimidine-2,7-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.158625898 u
Formula C22H20N4O2
InChI InChI=1S/C22H20N4O2/c1-15-18-19(17-12-8-5-9-13-17)25(3)21(27)23-20(18)26(22(28)24(15)2)14-16-10-6-4-7-11-16/h4-13H,1,14H2,2-3H3
InChIKey CXZGEXWHNFTVMJ-UHFFFAOYSA-N
Molecular Weight 372.428 g/mol
SMILES C=12C(C(=C)N(C(N2CC2=CC=CC=C2)=O)C)=C(C2=CC=CC=C2)N(C(N1)=O)C