chempirical

4-Amino-1,7-dihydro-6H-pyrazolo[3,4-D]pyrimidine-6-thione

C5H5N5SCAS 23771-52-0167.19 g/mol

Open in Covalent MOL file
NHNSHNHNHN
Thiol

Properties

Molecular formula
C5H5N5S
Molar mass
167.19 g/mol
Exact mass
167.0266 Da
logP
0.01Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
23771-52-0
SMILES
N=c1nc(S)nc2[nH][nH]cc1-2
InChIKey
YJMNLDSYAAJOPX-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5S/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11)

Weigh it out

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

Names and synonyms

4 names
  • 6H-Pyrazolo[3,4-d]pyrimidine-6-thione, 4-amino-1,7-dihydro-
  • 1H-Pyrazolo[3,4-d]pyrimidine-6-thiol, 4-amino-
  • 6H-Pyrazolo[3,4-d]pyrimidine-6-thione, 4-amino-1,5-dihydro-
  • NSC 7790

Work with 4-Amino-1,7-dihydro-6H-pyrazolo[3,4-D]pyrimidine-6-thione

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

4-Amino-6-hydroxypyrazolo[3,4-D]pyrimidine5472-41-359 % similar 1H-Pyrazolo[3,4-D]pyrimidin-4-amine2380-63-450 % similar 1,5,6,7-Tetrahydro-6-thioxo-4H-pyrazolo[3,4-D]pyrimidin-4-one24521-76-435 % similar Oxipurinol2465-59-035 % similar

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

Same formula

Thioguanine154-42-7

Elsewhere

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