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

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

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN6O2S/c1-5-19-17(26)24-7-6-23(9-12(24)4)14-8-13(18)21-16(22-14)27-10-15(25)20-11(2)3/h8,11-12H,5-7,9-10H2,1-4H3,(H,19,26)(H,20,25)/t12-/m0/s1