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

Systemtic Name: [3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-yl-methanone Openeye Name: [3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-morpholino-methanone CAS Name: [3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone Traditional Name: [3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]phenyl]-morpholino-methanone Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H25ClN4O2S/c22-18-14-19(25-7-2-1-3-8-25)24-21(23-18)29-15-16-5-4-6-17(13-16)20(27)26-9-11-28-12-10-26/h4-6,13-14H,1-3,7-12,15H2