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

Systemtic Name: [4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]phenyl]-piperidino-methanone Formula: C23H29ClN4OS MolecularWeight: 445.02056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H29ClN4OS/c1-17-9-13-27(14-10-17)21-15-20(24)25-23(26-21)30-16-18-5-7-19(8-6-18)22(29)28-11-3-2-4-12-28/h5-8,15,17H,2-4,9-14,16H2,1H3