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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

InChI

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