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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)Cl

InChI

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