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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C17H26ClN5O3S MolecularWeight: 415.93804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCOC)Cl

Isomeric SMILES

CCC(=O)N1CCN(C[C@@H]1C)C2=CC(=NC(=N2)SCC(=O)NCCOC)Cl

InChI

InChI=1S/C17H26ClN5O3S/c1-4-16(25)23-7-6-22(10-12(23)2)14-9-13(18)20-17(21-14)27-11-15(24)19-5-8-26-3/h9,12H,4-8,10-11H2,1-3H3,(H,19,24)/t12-/m0/s1