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1-[6-Amino-4-(4-chlorophenyl)-5-cyanopyrimidin-2-yl]-4-(2-hydroxyethyl)-3-methyl-3-pyrazolin-5-one
SpectraBase Compound ID H0QqsiWnSUM
InChI InChI=1S/C17H15ClN6O2/c1-9-12(6-7-25)16(26)24(23-9)17-21-14(13(8-19)15(20)22-17)10-2-4-11(18)5-3-10/h2-5,23,25H,6-7H2,1H3,(H2,20,21,22)
InChIKey QENIXLDEDPCQOG-UHFFFAOYSA-N
Mol Weight 370.8 g/mol
Molecular Formula C17H15ClN6O2
Exact Mass 370.094501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwtLr5A3ku
Name 1-[6-Amino-4-(4-chlorophenyl)-5-cyanopyrimidin-2-yl]-4-(2-hydroxyethyl)-3-methyl-3-pyrazolin-5-one
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Formula C17H15ClN6O2
InChI InChI=1S/C17H15ClN6O2/c1-9-12(6-7-25)16(26)24(23-9)17-21-14(13(8-19)15(20)22-17)10-2-4-11(18)5-3-10/h2-5,23,25H,6-7H2,1H3,(H2,20,21,22)
InChIKey QENIXLDEDPCQOG-UHFFFAOYSA-N
Molecular Weight 370.800 g/mol
SMILES Nc1nc(N2C(C(CCO)=C(N2)C)=O)nc(c1C#N)-c1ccc(cc1)Cl
SPLASH splash10-0a4i-9630000000-3954fadcd73c347d1c46
Source of Spectrum EMC-41-162-8
Synonyms 1-[6-Amino4-(4-chlorophenyl)-5-cyanopyrimidin-2-yl]-4-(2-hydroxyethyl)-3-methyl-3-pyrazolin-5-one 4-Amino-6-(4-chlorophenyl)-2-(4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)pyrimidine-5-carbonitrile 4-Amino-6-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-5-pyrimidinecarbonitrile 4-Amino-6-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]pyrimidine-5-carbonitrile 4-Azanyl-6-(4-chlorophenyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]pyrimidine-5-carbonitrile
Wiley ID 1734530