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Benzonitrile, 4-[(2,4-diamino-5,8-dihydro-6-oxo-7(6H)-pteridinylidene)acetyl]-
SpectraBase Compound ID AledHpIhXzf
InChI InChI=1S/C15H11N7O2/c16-6-7-1-3-8(4-2-7)10(23)5-9-14(24)20-11-12(17)21-15(18)22-13(11)19-9/h1-4H,5H2,(H,20,24)(H4,17,18,19,21,22)
InChIKey YYRFODJTMYZABP-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C15H11N7O2
Exact Mass 321.097423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM1Oya4eNsH
Name Benzonitrile, 4-[(2,4-diamino-5,8-dihydro-6-oxo-7(6H)-pteridinylidene)acetyl]-
CAS Registry Number 40155-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N7O2
InChI InChI=1S/C15H11N7O2/c16-6-7-1-3-8(4-2-7)10(23)5-9-14(24)20-11-12(17)21-15(18)22-13(11)19-9/h1-4H,5H2,(H,20,24)(H4,17,18,19,21,22)
InChIKey YYRFODJTMYZABP-UHFFFAOYSA-N
Molecular Weight 321.300 g/mol
SMILES N1C(C(=Nc2c1c(nc(n2)N)N)CC(c1ccc(C#N)cc1)=O)=O
SPLASH splash10-0006-0901000000-412ccfc93416209e71bb
Source of Spectrum O-12-304-1
Synonyms 4-[(2,4-diamino-6-oxo-5,6-dihydro-7-pteridinyl)acetyl]benzonitrile 7-(p-cyano phenacyl)-2,4-diamino-6(5H)ptteridinone
Wiley ID 1320795