N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)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(CC2)C(=O)CC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)CC

InChI

InChI=1S/C17H26ClN5O2S/c1-4-12(3)19-15(24)11-26-17-20-13(18)10-14(21-17)22-6-8-23(9-7-22)16(25)5-2/h10,12H,4-9,11H2,1-3H3,(H,19,24)/t12-/m0/s1