中文名 | 5-(2-hydroxy-3-nitrophenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one |
英文名 | 5-(2-hydroxy-3-nitrophenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one |
CAS | 1393119-46-4 |
化学式 | C15H15N5O4 |
分子量 | 329.31 |
InChI | InChI=1S/C15H15N5O4/c1-3-5-9-11-12(19(2)18-9)15(22)17-14(16-11)8-6-4-7-10(13(8)21)20(23)24/h4,6-7,21H,3,5H2,1-2H3,(H,16,17,22) |
InChIKey | BFRFMPUWYTUYAB-UHFFFAOYSA-N |
Canonical Smiles | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C(=CC=C3)[N+](=O)[O-])O)C |
Isomers Smiles | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C(=CC=C3)[N+](=O)[O-])O)C |
PSA | 129.62000 |
logP | 2.41310 |
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