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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H27ClN6O2S/c1-2-5-20-18(27)25-10-8-23(9-11-25)15-12-14(19)21-17(22-15)28-13-16(26)24-6-3-4-7-24/h12H,2-11,13H2,1H3,(H,20,27)