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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(2-pyridylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(2-pyridinylmethylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-pyridylmethylamino)ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C21H28ClN7O2S MolecularWeight: 478.01072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=N3)Cl

InChI

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