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

Systemtic Name: 2-[4-[(3S)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-ethoxy-ethanamide Openeye Name: 2-[4-[(3S)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-ethoxy-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-ethoxyacetamide IUPAC Name: 2-[4-[(3S)-4-butanoyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-ethoxyacetamide Traditional Name: 2-[[4-[(3S)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-ethoxy-acetamide Formula: C17H26ClN5O3S MolecularWeight: 415.93804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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