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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(2-pyridylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(2-pyridinylmethylamino)ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(2-pyridylmethylamino)ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C20H26ClN7O2S MolecularWeight: 463.98414

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=N3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=N3)Cl

InChI

InChI=1S/C20H26ClN7O2S/c1-3-22-20(30)28-9-8-27(12-14(28)2)17-10-16(21)25-19(26-17)31-13-18(29)24-11-15-6-4-5-7-23-15/h4-7,10,14H,3,8-9,11-13H2,1-2H3,(H,22,30)(H,24,29)