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Benzoic acid, 4-[[[2-(acetylamino)-1,4-dihydro-4-oxo-6-pteridinyl]methylene]amino]- , methyl ester, (Z)-
SpectraBase Compound ID CAion0kOSHa
InChI InChI=1S/C17H14N6O4/c1-9(24)20-17-22-14-13(15(25)23-17)21-12(8-19-14)7-18-11-5-3-10(4-6-11)16(26)27-2/h3-8H,1-2H3,(H2,19,20,22,23,24,25)/b18-7-
InChIKey WTNKMDNGFOWULX-WSVATBPTSA-N
Mol Weight 366.34 g/mol
Molecular Formula C17H14N6O4
Exact Mass 366.107653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxlOwX6A2l5
Name Benzoic acid, 4-[[[2-(acetylamino)-1,4-dihydro-4-oxo-6-pteridinyl]methylene]amino]- , methyl ester, (Z)-
CAS Registry Number 59040-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N6O4
InChI InChI=1S/C17H14N6O4/c1-9(24)20-17-22-14-13(15(25)23-17)21-12(8-19-14)7-18-11-5-3-10(4-6-11)16(26)27-2/h3-8H,1-2H3,(H2,19,20,22,23,24,25)/b18-7-
InChIKey WTNKMDNGFOWULX-WSVATBPTSA-N
Molecular Weight 366.337 g/mol
SMILES N1c2c(C(N=C1NC(=O)C)=O)nc(cn2)\C=N/c1ccc(C(=O)OC)cc1
SPLASH splash10-0cdi-0029000000-fdbce0ce16347f4ed673
Source of Spectrum H-59-246-3
Synonyms Methyl 4-({(Z)-[2-(acetylamino)-4-oxo-1,4-dihydro-6-pteridinyl]methylidene}amino)benzoate N(2')-acetyl-6-(N-4'-methoxycarbonyl-phenyl)-iminomethyl)-pterine
Wiley ID 1351743