2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-N-[(1R)-1-phenylethyl]acetamide Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C18H21ClN4OS/c1-13(14-7-3-2-4-8-14)20-17(24)12-25-18-21-15(19)11-16(22-18)23-9-5-6-10-23/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,20,24)/t13-/m1/s1