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Benzoic acid, 4-[[[2-(acetylamino)-1,4-dihydro-4-oxo-6-pteridinyl]methyl]amino]-, methyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 4-[[[2-(acetylamino)-1,4-dihydro-4-oxo-6-pteridinyl]methyl]amino]-, methyl ester
SpectraBase Compound ID Az18L6L5r0x
InChI InChI=1S/C17H16N6O4/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/h3-6,8,18H,7H2,1-2H3,(H2,19,20,22,23,24,25)
InChIKey CRSYKUSIBCBVRD-UHFFFAOYSA-N
Mol Weight 368.35 g/mol
Molecular Formula C17H16N6O4
Exact Mass 368.123303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hrH1iHhDzP
Name Benzoic acid, 4-[[[2-(acetylamino)-1,4-dihydro-4-oxo-6-pteridinyl]methyl]amino]-, methyl ester
CAS Registry Number 59040-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N6O4
InChI InChI=1S/C17H16N6O4/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/h3-6,8,18H,7H2,1-2H3,(H2,19,20,22,23,24,25)
InChIKey CRSYKUSIBCBVRD-UHFFFAOYSA-N
Molecular Weight 368.353 g/mol
SMILES N1c2c(C(N=C1NC(=O)C)=O)nc(cn2)CNc1ccc(C(=O)OC)cc1
SPLASH splash10-0g29-0913000000-8d39255b30dccc9d9074
Source of Spectrum H-59-247-4
Synonyms Methyl 4-({[2-(acetylamino)-4-oxo-1,4-dihydro-6-pteridinyl]methyl}amino)benzoate N(2')-acetyl-6-(N-(4'-methoxycarbonyl-phenyl)-aminomethyl)-pterine
Wiley ID 1352840