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4-[(2-Amino-4-oxo-3,4-dihydropteridin-6-ylmethyl)-amino]-benzoic acid
SpectraBase Compound ID Ig6JpkTS2Xw
InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C14H12N6O3
Exact Mass 312.097088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEY39LGcv64
Name 4-[(2-Amino-4-oxo-3,4-dihydropteridin-6-ylmethyl)-amino]-benzoic acid
CAS Registry Number 119-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N6O3
InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-N
Molecular Weight 312.289 g/mol
SMILES Oc1c2c(nc(n1)N)ncc(n2)CNc1ccc(C(=O)O)cc1
SPLASH splash10-0002-9200000000-984374fcab8546c2a657
Source of Spectrum H-59-247-5
Synonyms 4-([(2-Amino-4-oxo-3,4-dihydro-6-pteridinyl)methyl]amino)benzoic acid 4-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoic acid 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoic acid 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzoic acid Benzoic acid, p-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]- p-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid Pteroic acid NSC 14972
Wiley ID 1312924