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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C21H28ClN7O2S MolecularWeight: 478.01072

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

InChI

InChI=1S/C21H28ClN7O2S/c1-3-23-21(31)29-11-10-28(13-15(29)2)18-12-17(22)26-20(27-18)32-14-19(30)25-9-7-16-6-4-5-8-24-16/h4-6,8,12,15H,3,7,9-11,13-14H2,1-2H3,(H,23,31)(H,25,30)