4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1-phenyl-pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1-phenyl-pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1-phenyl-pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[3-(1,3-dioxan-2-ylmethylthio)-5-methyl-1-phenyl-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[3-(1,3-dioxan-2-ylmethylsulfanyl)-5-methyl-1-phenylpyrazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[3-(1,3-dioxan-2-ylmethylthio)-5-methyl-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCC3OCCCO3)C4=NC(=NC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCC3OCCCO3)C4=NC(=NC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-18-23(21-13-14-26-25(28-21)27-19-9-4-2-5-10-19)24(33-17-22-31-15-8-16-32-22)29-30(18)20-11-6-3-7-12-20/h2-7,9-14,22H,8,15-17H2,1H3,(H,26,27,28)