2-[[5-cyclopropyl-1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-cyclopropyl-1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-cyclopropyl-1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-methylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methylamino]ethyl-diethylazanium Traditional Name: 2-[[5-cyclopropyl-1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]ethyl-diethyl-ammonium Formula: C25H32FN6O2+ MolecularWeight: 467.558983

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C4CC4

Isomeric SMILES

CC[NH+](CC)CCN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C4CC4

InChI

InChI=1S/C25H31FN6O2/c1-5-31(6-2)14-13-30(3)24(33)19-16-28-32(23(19)17-7-8-17)25-27-12-11-21(29-25)18-9-10-22(34-4)20(26)15-18/h9-12,15-17H,5-8,13-14H2,1-4H3/p+1