501120-42-9
3-(6,7-DIHYDRO-2-METHYL-7-OXO-3-PROPYL-2H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-ETHOXY-BENZENESULFONYL CHLORIDE
Name
3-(6,7-DIHYDRO-2-METHYL-7-OXO-3-PROPYL-2H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-ETHOXY-BENZENESULFONYL CHLORIDE
Formula
C17 H19 Cl N4 O4 S
MolWeight
410.88
1Identification
【Name】
3-(6,7-DIHYDRO-2-METHYL-7-OXO-3-PROPYL-2H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-ETHOXY-BENZENESULFONYL CHLORIDE
【CAS】
【MDL】
MFCD22683786
【English Synonyms】
【Formula】
C17 H19 Cl N4 O4 S
【MolWeight】
410.88
【Inchi】
InChI=1S/C17H19ClN4O4S/c1-4-6-12-14-15(21-22(12)3)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)
【InChIKey】
InChIKey=XPOJLYGSFUUUDG-UHFFFAOYSA-N
【SMILES】
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)nn1C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(6,7-DIHYDRO-2-METHYL-7-OXO-3-PROPYL-2H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)-4-ETHOXY-BENZENESULFONYL CHLORIDE.cml
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