4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-piperidinoethyl)benzamide Formula: C23H30ClN5OS MolecularWeight: 460.0352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C23H30ClN5OS/c24-20-16-21(29-13-4-5-14-29)27-23(26-20)31-17-18-6-8-19(9-7-18)22(30)25-10-15-28-11-2-1-3-12-28/h6-9,16H,1-5,10-15,17H2,(H,25,30)