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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(C[C@@H]1C)C2=CC(=NC(=N2)SCC(=O)NC3CC3)Cl

InChI

InChI=1S/C18H27ClN6O2S/c1-3-6-20-18(27)25-8-7-24(10-12(25)2)15-9-14(19)22-17(23-15)28-11-16(26)21-13-4-5-13/h9,12-13H,3-8,10-11H2,1-2H3,(H,20,27)(H,21,26)/t12-/m0/s1