4-[6-chloranyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-N-propyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(2,6-dimethylmorpholino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-propyl-piperazine-1-carboxamide Formula: C20H31ClN6O3S MolecularWeight: 471.01654

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CC(OC(C3)C)C)Cl

Isomeric SMILES

CCCNC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CC(OC(C3)C)C)Cl

InChI

InChI=1S/C20H31ClN6O3S/c1-4-5-22-20(29)26-8-6-25(7-9-26)17-10-16(21)23-19(24-17)31-13-18(28)27-11-14(2)30-15(3)12-27/h10,14-15H,4-9,11-13H2,1-3H3,(H,22,29)