1-[1-[6-chloranyl-2-[(3-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyrimidin-4-yl]-4-phenyl-piperidin-4-yl]ethanone

Systemtic Name: 1-[1-[6-chloranyl-2-[(3-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyrimidin-4-yl]-4-phenyl-piperidin-4-yl]ethanone Openeye Name: 1-[1-[6-chloro-2-[[3-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyrimidin-4-yl]-4-phenyl-4-piperidyl]ethanone CAS Name: 1-[1-[6-chloro-2-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-pyrimidinyl]-4-phenyl-4-piperidinyl]ethanone IUPAC Name: 1-[1-[6-chloro-2-[[3-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyrimidin-4-yl]-4-phenylpiperidin-4-yl]ethanone Traditional Name: 1-[1-[6-chloro-2-[[3-(pyrrolidine-1-carbonyl)benzyl]thio]pyrimidin-4-yl]-4-phenyl-4-piperidyl]ethanone Formula: C29H31ClN4O2S MolecularWeight: 535.10004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H31ClN4O2S/c1-21(35)29(24-10-3-2-4-11-24)12-16-33(17-13-29)26-19-25(30)31-28(32-26)37-20-22-8-7-9-23(18-22)27(36)34-14-5-6-15-34/h2-4,7-11,18-19H,5-6,12-17,20H2,1H3