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

Systemtic Name: 4-[6-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C18H27ClN6O3S MolecularWeight: 442.96338

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H27ClN6O3S/c1-3-20-18(27)25-5-4-24(11-13(25)2)15-10-14(19)21-17(22-15)29-12-16(26)23-6-8-28-9-7-23/h10,13H,3-9,11-12H2,1-2H3,(H,20,27)