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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-piperidin-1-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-[2-(1-piperidyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-2-methyl-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-piperidinoethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Formula: C22H36ClN7O2S MolecularWeight: 498.08494

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCCC3)Cl

InChI

InChI=1S/C22H36ClN7O2S/c1-3-7-25-22(32)30-13-12-29(15-17(30)2)19-14-18(23)26-21(27-19)33-16-20(31)24-8-11-28-9-5-4-6-10-28/h14,17H,3-13,15-16H2,1-2H3,(H,24,31)(H,25,32)