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4-[4-Cyanophenyl]-3-methyl-4,9-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,8H)-dione
SpectraBase Compound ID AFWc2jQi3N3
InChI InChI=1S/C16H12N6O2/c1-7-10-11(9-4-2-8(6-17)3-5-9)12-13(18-14(10)22-21-7)19-16(24)20-15(12)23/h2-5,11H,1H3,(H4,18,19,20,21,22,23,24)
InChIKey ZBXYXSASUDEMIQ-UHFFFAOYSA-N
Mol Weight 320.31 g/mol
Molecular Formula C16H12N6O2
Exact Mass 320.102174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qMVRJs5df4
Name 4-[4-Cyanophenyl]-3-methyl-4,9-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,8H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N6O2
InChI InChI=1S/C16H12N6O2/c1-7-10-11(9-4-2-8(6-17)3-5-9)12-13(18-14(10)22-21-7)19-16(24)20-15(12)23/h2-5,11H,1H3,(H4,18,19,20,21,22,23,24)
InChIKey ZBXYXSASUDEMIQ-UHFFFAOYSA-N
Molecular Weight 320.312 g/mol
SMILES N1C(C=2C(c3c(NC2NC1=O)[nH]nc3C)c1ccc(C#N)cc1)=O
SPLASH splash10-014i-0291000000-a2c54752c2eaf3361888
Source of Spectrum F4-41-1382-5d
Synonyms 4-(3-Methyl-5,7-dioxo-1,2,4,8-tetrahydropyrazolo[3,4]pyrido[3,5-b]pyrimidin-4-yl)benzonitrile 4-[3-methyl-5,7-bis(oxidanylidene)-1,2,4,8-tetrahydropyrazolo[3,4]pyrido[3,5-b]pyrimidin-4-yl]benzenecarbonitrile
Wiley ID 1672061