4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine

Systemtic Name: 4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine Openeye Name: 4-(3-butylsulfanyl-5-methyl-1-phenyl-pyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine CAS Name: 4-[3-(butylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-(3-fluorophenyl)-2-pyrimidinamine IUPAC Name: 4-(3-butylsulfanyl-5-methyl-1-phenylpyrazol-4-yl)-N-(3-fluorophenyl)pyrimidin-2-amine Traditional Name: [4-[3-(butylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-(3-fluorophenyl)amine Formula: C24H24FN5S MolecularWeight: 433.544263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C)C4=CC=CC=C4

InChI

InChI=1S/C24H24FN5S/c1-3-4-15-31-23-22(17(2)30(29-23)20-11-6-5-7-12-20)21-13-14-26-24(28-21)27-19-10-8-9-18(25)16-19/h5-14,16H,3-4,15H2,1-2H3,(H,26,27,28)