2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[6-methyl-5-[(1S)-1-oxidanylethyl]-2-phenyl-pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-4-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenylpyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-[(1S)-1-hydroxyethyl]-6-methyl-2-phenyl-pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCCCC3)C(C)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)N3CCCCC3)[C@H](C)O

InChI

InChI=1S/C20H25N3O2S/c1-14-18(15(2)24)20(22-19(21-14)16-9-5-3-6-10-16)26-13-17(25)23-11-7-4-8-12-23/h3,5-6,9-10,15,24H,4,7-8,11-13H2,1-2H3/t15-/m0/s1