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3-Benzyl-4-ethoxy-9-(4-nitrophenyl)pyrimido[1,6-a]pyrimidin-2-one
SpectraBase Compound ID 7FCoj6LkEIN
InChI InChI=1S/C22H18N4O4/c1-2-30-22-18(12-15-6-4-3-5-7-15)21(27)24-20-19(13-23-14-25(20)22)16-8-10-17(11-9-16)26(28)29/h3-11,13-14H,2,12H2,1H3
InChIKey UPMYGBKEUVEKTL-UHFFFAOYSA-N
Mol Weight 402.41 g/mol
Molecular Formula C22H18N4O4
Exact Mass 402.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1V3oaoNYfoM
Name 3-Benzyl-4-ethoxy-9-(4-nitrophenyl)pyrimido[1,6-a]pyrimidin-2-one
CAS Registry Number 106537-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N4O4
InChI InChI=1S/C22H18N4O4/c1-2-30-22-18(12-15-6-4-3-5-7-15)21(27)24-20-19(13-23-14-25(20)22)16-8-10-17(11-9-16)26(28)29/h3-11,13-14H,2,12H2,1H3
InChIKey UPMYGBKEUVEKTL-UHFFFAOYSA-N
Molecular Weight 402.410 g/mol
SMILES C1=2N(C(OCC)=C(C(N2)=O)Cc2ccccc2)C=NC=C1c1ccc(N(=O)=O)cc1
SPLASH splash10-0udi-0456900000-09838239d254e38e2b46
Source of Spectrum Y-23-336-0
Synonyms 4-Ethoxy-9-(4-nitrophenyl)-3-(phenylmethyl)-2-pyrimido[1,6-a]pyrimidinone 4-Ethoxy-9-(4-nitrophenyl)-3-(phenylmethyl)pyrimido[1,6-a]pyrimidin-2-one
Wiley ID 1370326