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

Systemtic Name: [3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methyl-1-piperidyl)methanone CAS Name: [3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]phenyl]-(4-methylpiperidino)methanone Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C22H27ClN4OS/c1-16-7-11-27(12-8-16)21(28)18-6-4-5-17(13-18)15-29-22-24-19(23)14-20(25-22)26-9-2-3-10-26/h4-6,13-14,16H,2-3,7-12,15H2,1H3