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Acetamide, N-[6-[[(2,5-dimethylphenyl)imino]methyl]-1,4-dihydro-4-oxo-2-pteridin yl]-, (E)-
SpectraBase Compound ID 2z0chF9rfuV
InChI InChI=1S/C17H16N6O2/c1-9-4-5-10(2)13(6-9)18-7-12-8-19-15-14(21-12)16(25)23-17(22-15)20-11(3)24/h4-8H,1-3H3,(H2,19,20,22,23,24,25)/b18-7+
InChIKey BBTVFGDHOFFXFG-CNHKJKLMSA-N
Mol Weight 336.36 g/mol
Molecular Formula C17H16N6O2
Exact Mass 336.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rwPCHYWFGK
Name Acetamide, N-[6-[[(2,5-dimethylphenyl)imino]methyl]-1,4-dihydro-4-oxo-2-pteridin yl]-, (E)-
CAS Registry Number 59040-11-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N6O2
InChI InChI=1S/C17H16N6O2/c1-9-4-5-10(2)13(6-9)18-7-12-8-19-15-14(21-12)16(25)23-17(22-15)20-11(3)24/h4-8H,1-3H3,(H2,19,20,22,23,24,25)/b18-7+
InChIKey BBTVFGDHOFFXFG-CNHKJKLMSA-N
Molecular Weight 336.355 g/mol
SMILES N1c2c(C(N=C1NC(=O)C)=O)nc(cn2)\C=N\c1c(ccc(c1)C)C
SPLASH splash10-000l-0898000000-0948fb6fe4118a4e15a2
Source of Spectrum H-59-245-3
Synonyms N(2')-acetyl-6-(N-(3',6'-dimethyl-phenyl)iminomethyl)pterine N-(6-{(E)-[(2,5-dimethylphenyl)imino]methyl}-4-oxo-1,4-dihydro-2-pteridinyl)acetamide
Wiley ID 1332214