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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C17H26ClN5O2S MolecularWeight: 399.93864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN5O2S/c1-4-6-19-15(24)11-26-17-20-13(18)9-14(21-17)22-7-8-23(12(3)10-22)16(25)5-2/h9,12H,4-8,10-11H2,1-3H3,(H,19,24)/t12-/m0/s1