(2S)-4-[6-chloranyl-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: (2S)-4-[6-chloranyl-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: (2S)-4-[6-chloro-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-4-[6-chloro-2-[[2-oxo-2-(propylamino)ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[6-chloro-2-[2-oxo-2-(propylamino)ethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: (2S)-4-[6-chloro-2-[[2-keto-2-(propylamino)ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C17H27ClN6O2S MolecularWeight: 414.95328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN6O2S/c1-4-6-20-15(25)11-27-16-21-13(18)9-14(22-16)23-7-8-24(12(3)10-23)17(26)19-5-2/h9,12H,4-8,10-11H2,1-3H3,(H,19,26)(H,20,25)/t12-/m0/s1