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5-Cyanomethyl-7-(4-methylphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine

View entire compound with spectra: 1 MS (GC)

5-Cyanomethyl-7-(4-methylphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine
SpectraBase Compound ID GvFLo5qZCKi
InChI InChI=1S/C18H16N4O2/c1-11-4-6-12(7-5-11)14-10-13(8-9-19)15-16(20-14)21(2)18(24)22(3)17(15)23/h4-7,10H,8H2,1-3H3
InChIKey XSQUNCJCBXZSAV-UHFFFAOYSA-N
Mol Weight 320.35 g/mol
Molecular Formula C18H16N4O2
Exact Mass 320.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6111pdbf7yG
Name 5-Cyanomethyl-7-(4-methylphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O2
InChI InChI=1S/C18H16N4O2/c1-11-4-6-12(7-5-11)14-10-13(8-9-19)15-16(20-14)21(2)18(24)22(3)17(15)23/h4-7,10H,8H2,1-3H3
InChIKey XSQUNCJCBXZSAV-UHFFFAOYSA-N
Molecular Weight 320.352 g/mol
SMILES C1(N(C(c2c(N1C)nc(cc2CC#N)-c1ccc(cc1)C)=O)C)=O
SPLASH splash10-00di-0079000000-0d2a7a69a77c457bd363
Source of Spectrum SO-0-543-3
Synonyms [1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl]acetonitrile
Wiley ID 877572