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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C22H29ClN6O2S MolecularWeight: 477.02266

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H29ClN6O2S/c1-3-24-22(31)29-12-11-28(14-16(29)2)19-13-18(23)26-21(27-19)32-15-20(30)25-10-9-17-7-5-4-6-8-17/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,24,31)(H,25,30)