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

Systemtic Name: N-(3-fluorophenyl)-4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(3-fluorophenyl)-4-(5-methyl-1-phenyl-3-propylsulfanyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: N-(3-fluorophenyl)-4-[5-methyl-1-phenyl-3-(propylthio)-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: N-(3-fluorophenyl)-4-(5-methyl-1-phenyl-3-propylsulfanylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: (3-fluorophenyl)-[4-[5-methyl-1-phenyl-3-(propylthio)pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C23H22FN5S MolecularWeight: 419.517683

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN(C(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)F)C)C4=CC=CC=C4

InChI

InChI=1S/C23H22FN5S/c1-3-14-30-22-21(16(2)29(28-22)19-10-5-4-6-11-19)20-12-13-25-23(27-20)26-18-9-7-8-17(24)15-18/h4-13,15H,3,14H2,1-2H3,(H,25,26,27)