4-[3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]phenyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 4-[3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]phenyl]-2-methylsulfanyl-pyrimidine Openeye Name: 4-[3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]phenyl]-2-methylsulfanyl-pyrimidine CAS Name: 4-[3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-pyrazolyl]phenyl]-2-(methylthio)pyrimidine IUPAC Name: 4-[3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]phenyl]-2-methylsulfanylpyrimidine Traditional Name: 4-[3-[1-[[(2S)-1,4-dioxan-2-yl]methyl]pyrazol-3-yl]phenyl]-2-(methylthio)pyrimidine Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NN(C=C3)CC4COCCO4

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC(=CC=C2)C3=NN(C=C3)C[C@H]4COCCO4

InChI

InChI=1S/C19H20N4O2S/c1-26-19-20-7-5-17(21-19)14-3-2-4-15(11-14)18-6-8-23(22-18)12-16-13-24-9-10-25-16/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m0/s1