N-[(2S)-butan-2-yl]-3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-[(1S)-1-methylpropyl]benzamide Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4OS/c1-5-14(4)22-19(26)16-10-8-9-15(11-16)13-27-20-23-17(21)12-18(24-20)25(6-2)7-3/h8-12,14H,5-7,13H2,1-4H3,(H,22,26)/t14-/m0/s1