5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one

C17H19ClN4O4SCAS 139756-22-2410.87 g/mol

NNONHSOOClON
Ether

Properties

Molecular formula
C17H19ClN4O4S
Molar mass
410.87 g/mol
Exact mass
410.0816 Da
Melting point
179–181 °C
logP
2.60Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Identifiers

CAS number
139756-22-2
SMILES
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12
InChIKey
RVVOSOSBFSYZDM-UHFFFAOYSA-N
InChI
InChI=1S/C17H19ClN4O4S/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(27(18,24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,19,20,23)

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

Names and synonyms

6 names
  • Benzenesulfonyl chloride, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-
  • Benzenesulfonyl chloride, 3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-
  • 1H-Pyrazolo[4,3-d]pyrimidine, benzenesulfonyl chloride deriv.
  • 3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonyl chloride
  • 4-Ethoxy-3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chloride
  • 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

Work with 5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one

Similar compounds

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

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