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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-[(3R)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-[(3R)-4-acetyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[[4-[(3R)-4-acetyl-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-[(3R)-4-acetyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[[4-[(3R)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C17H26ClN5O2S MolecularWeight: 399.93864

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN5O2S/c1-5-11(2)19-16(25)10-26-17-20-14(18)8-15(21-17)22-6-7-23(13(4)24)12(3)9-22/h8,11-12H,5-7,9-10H2,1-4H3,(H,19,25)/t11-,12+/m0/s1