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2-AMINO-4,6-PTERIDINEDIOL
SpectraBase Compound ID ADbi59oOzMa
InChI InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKey VURKRJGMSKJIQX-UHFFFAOYSA-N
Mol Weight 179.14 g/mol
Molecular Formula C6H5N5O2
Exact Mass 179.044324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2jHiZGNXEQ
Name 4,6-Pteridinedione, 2-amino-1,5-dihydro-
CAS Registry Number 119-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5N5O2
InChI InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKey VURKRJGMSKJIQX-UHFFFAOYSA-N
Molecular Weight 179.139 g/mol
SMILES Oc1c2c(ncc(n2)O)nc(n1)N
SPLASH splash10-004i-0900000000-7e69bf6c73a0cc61acd4
Source of Spectrum O-2-925-2
Synonyms 2-Amino-4,6-pteridinediol 2-Amino-1,5-dihydropteridine-4,6-dione 2-Amino-1,5-dihydropteridine-4,6-quinone 2-Amino-4,6-dihydroxypteridine 2-Aminopteridine-4(3H),6(5H)-dione 2-Azanyl-1,5-dihydropteridine-4,6-dione Ksantopterin Xanthopterin EINECS 204-325-0 NSC 41836
Wiley ID 1174983