4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanyl-pyrazol-4-yl)-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[5-methyl-1-phenyl-3-(3-pyridylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-1-phenyl-3-(3-pyridinylthio)-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-(5-methyl-1-phenyl-3-pyridin-3-ylsulfanylpyrazol-4-yl)-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-1-phenyl-3-(3-pyridylthio)pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C25H20N6S MolecularWeight: 436.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC3=CN=CC=C3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC3=CN=CC=C3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C25H20N6S/c1-18-23(22-14-16-27-25(29-22)28-19-9-4-2-5-10-19)24(32-21-13-8-15-26-17-21)30-31(18)20-11-6-3-7-12-20/h2-17H,1H3,(H,27,28,29)