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

Systemtic Name: (2S)-4-[6-chloranyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: (2S)-4-[6-chloro-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-4-[6-chloro-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: (2S)-4-[6-chloro-2-[(2-keto-2-pyrrolidino-ethyl)thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C18H27ClN6O2S MolecularWeight: 426.96398

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(C[C@@H]1C)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H27ClN6O2S/c1-3-20-18(27)25-9-8-24(11-13(25)2)15-10-14(19)21-17(22-15)28-12-16(26)23-6-4-5-7-23/h10,13H,3-9,11-12H2,1-2H3,(H,20,27)/t13-/m0/s1