1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(3-fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-N-[3-(methylthio)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(3-methylsulfanylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-N-[3-(methylthio)propyl]pyrazole-4-carboxamide Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C(=O)NCCCSC

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C(=O)NCCCSC

InChI

InChI=1S/C20H22FN5O2S/c1-13-15(19(27)22-8-4-10-29-3)12-24-26(13)20-23-9-7-17(25-20)14-5-6-18(28-2)16(21)11-14/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,22,27)