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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-2-methyl-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]thio]pyrimidin-4-yl]-2-methyl-N-propyl-piperazine-1-carboxamide Formula: C22H30ClN7O2S MolecularWeight: 492.0373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN7O2S/c1-3-8-26-22(32)30-12-11-29(14-16(30)2)19-13-18(23)27-21(28-19)33-15-20(31)25-10-7-17-6-4-5-9-24-17/h4-6,9,13,16H,3,7-8,10-12,14-15H2,1-2H3,(H,25,31)(H,26,32)