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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-phenethyl-benzamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4OS/c25-21-16-22(29-14-4-5-15-29)28-24(27-21)31-17-19-8-10-20(11-9-19)23(30)26-13-12-18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,12-15,17H2,(H,26,30)