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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C16H24ClN5O3S MolecularWeight: 401.91146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN5O3S/c1-4-15(24)22-7-6-21(9-11(22)3)13-8-12(17)18-16(19-13)26-10-14(23)20-25-5-2/h8,11H,4-7,9-10H2,1-3H3,(H,20,23)/t11-/m0/s1