chempirical

N2-Acetylguanine

C7H7N5O2CAS 19962-37-9193.17 g/mol

Open in Covalent MOL file
OHNNOHNNHN
Phenol

Properties

Molecular formula
C7H7N5O2
Molar mass
193.17 g/mol
Exact mass
193.0600 Da
logP
0.67Crippen estimate
Polar surface area
107.3 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
19962-37-9
SMILES
CC(O)=Nc1nc(O)c2nc[nH]c2n1
InChIKey
MXSMRDDXWJSGMC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Acetamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-
  • Acetamide, N-(1,6-dihydro-6-oxopurin-2-yl)-
  • Acetamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-
  • Guanine, N-acetyl-
  • N-(6,9-Dihydro-6-oxo-1H-purin-2-yl)acetamide
  • 2-N-Acetylguanine
  • N-Acetylguanine
  • 2-Acetylamino-6-hydroxypurine
  • 2-Acetamido-6-hydroxypurine

Work with N2-Acetylguanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Xanthine69-89-651 % similar 2-Thioxanthine2487-40-349 % similar 2,9-Diacetylguanine3056-33-548 % similar Hypoxanthine68-94-043 % similar N2-Acetyl-9-(2-acetoxyethoxymethyl)guanine75128-73-339 % similar N-[9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]acetamide86357-14-438 % similar 6-Thioxanthine2002-59-736 % similar Guanine73-40-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook