5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-D]pyrimidin-7-one
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
139756-22-2SMILES
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nc12InChIKey
RVVOSOSBFSYZDM-UHFFFAOYSA-NInChI
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)Weigh it out
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
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds