chempirical

Lomeguatrib

C10H8BrN5OSCAS 192441-08-0326.17 g/mol

Open in Covalent MOL file
NHNOBrSNNHNH
Aryl halideEther

Properties

Molecular formula
C10H8BrN5OS
Molar mass
326.17 g/mol
Exact mass
324.9633 Da
logP
2.17Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3

Identifiers

CAS number
192441-08-0
SMILES
N=c1nc(OCc2cc(Br)cs2)c2nc[nH]c2[nH]1
InChIKey
JUJPKFNFCWJBCX-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)

Weigh it out

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

Names and synonyms

5 names
  • 9H-Purin-2-amine, 6-[(4-bromo-2-thienyl)methoxy]-
  • 1H-Purin-2-amine, 6-[(4-bromo-2-thienyl)methoxy]-
  • 6-[(4-Bromo-2-thienyl)methoxy]-9H-purin-2-amine
  • 2-Amino-6-(4-bromothiophen-2-ylmethoxy)-9H-purine
  • PaTrin 2

Work with Lomeguatrib

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

O6-Benzylguanine19916-73-557 % similar 6-O-Methylguanine20535-83-549 % similar Thioguanine154-42-740 % similar Guanine73-40-540 % similar Guanine hydrochloride635-39-238 % similar Guanine sulfate10333-92-335 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook