1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]-2-phenoxy-ethanone Formula: C23H29N3O3S MolecularWeight: 427.55966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=CC=C3)SCC4CCCO4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)COC3=CC=CC=C3)SCC4CCCO4

InChI

InChI=1S/C23H29N3O3S/c1-17-13-24-23(30-16-20-10-6-12-28-20)25-22(17)18-7-5-11-26(14-18)21(27)15-29-19-8-3-2-4-9-19/h2-4,8-9,13,18,20H,5-7,10-12,14-16H2,1H3