N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-[(3R)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-[(3R)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[(3R)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[4-chloro-6-[(3R)-3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-chloro-6-[(3R)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN([C@@H](C2)C)C(=O)CC

InChI

InChI=1S/C18H28ClN5O2S/c1-5-12(3)20-16(25)11-27-18-21-14(19)9-15(22-18)23-7-8-24(13(4)10-23)17(26)6-2/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,25)/t12-,13+/m0/s1