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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-[(1S)-1-methylpropyl]benzamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4OS/c1-3-14(2)22-19(26)16-8-6-15(7-9-16)13-27-20-23-17(21)12-18(24-20)25-10-4-5-11-25/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,22,26)/t14-/m0/s1