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Isocytosine
SpectraBase Compound ID 8nfz9wzkfSy
InChI InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChIKey XQCZBXHVTFVIFE-UHFFFAOYSA-N
Mol Weight 111.1 g/mol
Molecular Formula C4H5N3O
Exact Mass 111.043262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0M5wsS4o7E
Name 4(1H)-Pyrimidinone, 2-amino-
CAS Registry Number 108-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3O
InChI InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChIKey XQCZBXHVTFVIFE-UHFFFAOYSA-N
Molecular Weight 111.104 g/mol
SMILES Nc1nc(ccn1)O
SPLASH splash10-01ox-9200000000-34d248a2c43745302148
Source of Spectrum C-89-2723-91
Synonyms 2-Amino-4(1H)-pyrimidinone 2-Amino-1H-pyrimidin-6-one 2-Amino-3H-pyrimidin-4-one 2-Amino-4-hydroxypyrimidine 2-Amino-4-oxypyrimidine 2-Amino-4-pyrimdinol 2-Amino-4-pyrimidone 2-Azanyl-1H-pyrimidin-6-one 4(3H)-Pyrimidinone, 2-amino- 4-Pyrimidinol, 2-amino- Isocytosine AI3-52238 EINECS 203-592-0 NSC 49118
Wiley ID 2645