[3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]phenyl]-(4-ethylpiperazino)methanone Formula: C23H30ClN5OS MolecularWeight: 460.0352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C23H30ClN5OS/c1-2-27-11-13-29(14-12-27)22(30)19-8-6-7-18(15-19)17-31-23-25-20(24)16-21(26-23)28-9-4-3-5-10-28/h6-8,15-16H,2-5,9-14,17H2,1H3