4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine Openeye Name: N-(3-benzyloxyphenyl)-4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: 4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-N-(3-phenylmethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine Traditional Name: (3-benzoxyphenyl)-[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C28H25N5OS MolecularWeight: 479.596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H25N5OS/c1-20-26(27(35-2)32-33(20)23-13-7-4-8-14-23)25-16-17-29-28(31-25)30-22-12-9-15-24(18-22)34-19-21-10-5-3-6-11-21/h3-18H,19H2,1-2H3,(H,29,30,31)