1-[4-[6-ethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-ethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[6-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-ethyl-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-ethyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]pyrimidin-4-yl]piperazino]ethanone Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C24H31N5O2S/c1-3-21-16-22(28-14-12-27(13-15-28)18(2)30)26-24(25-21)32-17-19-6-8-20(9-7-19)23(31)29-10-4-5-11-29/h6-9,16H,3-5,10-15,17H2,1-2H3