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4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one
4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CC)CCC1=C(C(=CC2=C(NNC2=O)C3=NC=CC=N3)N=C1C)C
Isomeric SMILES
CCN(CC)CCC1=C(/C(=C\C2=C(NNC2=O)C3=NC=CC=N3)/N=C1C)C
InChI
InChI=1S/C20H26N6O/c1-5-26(6-2)11-8-15-13(3)17(23-14(15)4)12-16-18(24-25-20(16)27)19-21-9-7-10-22-19/h7,9-10,12H,5-6,8,11H2,1-4H3,(H2,24,25,27)/b17-12+
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