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8-amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID D2tdvRvCUDt
InChI InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)
InChIKey ZZESAIGPDOBLKZ-UHFFFAOYSA-N
Mol Weight 195.18 g/mol
Molecular Formula C7H9N5O2
Exact Mass 195.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCUuBanlDSM
Name 8-Amino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 1H-Purine-2,6-dione, 8-amino-3,7-dihydro-1,3-dimethyl- 7H-Purine-2,6(1H,3H)-dione, 8-amino-1,3-dimethyl- 8-Amino-1,3-dimethyl-7H-purine-2,6-dione 8-Amino-1,3-dimethyl-7H-purine-2,6-quinone 8-Aminoteofiliny 8-Aminotheophylline 8-Azanyl-1,3-dimethyl-7H-purine-2,6-dione Theophylline, 8-amino-
CAS Registry Number 19410-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N5O2
InChI InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)
InChIKey ZZESAIGPDOBLKZ-UHFFFAOYSA-N
Molecular Weight 195.182 g/mol
SMILES [nH]1c2C(N(C(N(c2nc1N)C)=O)C)=O
SPLASH splash10-0005-9600000000-c89e0526824ebc9bffd5
Wiley ID 1456691