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

Systemtic Name: 1-[4-methyl-2-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyrimidin-5-yl]ethanone Openeye Name: 1-[4-methyl-2-phenyl-6-[2-(1-piperidyl)ethylsulfanyl]pyrimidin-5-yl]ethanone CAS Name: 1-[4-methyl-2-phenyl-6-[2-(1-piperidinyl)ethylthio]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-methyl-2-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyrimidin-5-yl]ethanone Traditional Name: 1-[4-methyl-2-phenyl-6-(2-piperidinoethylthio)pyrimidin-5-yl]ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCN3CCCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCN3CCCCC3)C(=O)C

InChI

InChI=1S/C20H25N3OS/c1-15-18(16(2)24)20(25-14-13-23-11-7-4-8-12-23)22-19(21-15)17-9-5-3-6-10-17/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3