ethyl 4-[4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28ClN5O4S MolecularWeight: 506.01752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

InChI

InChI=1S/C23H28ClN5O4S/c1-2-33-23(31)29-9-7-28(8-10-29)21(30)18-5-3-17(4-6-18)16-34-22-25-19(24)15-20(26-22)27-11-13-32-14-12-27/h3-6,15H,2,7-14,16H2,1H3