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

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-(2-morpholin-4-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-(2-morpholinoethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-[2-(4-morpholinyl)ethylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-keto-2-(2-morpholinoethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C22H36ClN7O3S MolecularWeight: 514.08434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCOCC3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCCN3CCOCC3)Cl

InChI

InChI=1S/C22H36ClN7O3S/c1-16-14-29(7-8-30(16)21(32)27-22(2,3)4)18-13-17(23)25-20(26-18)34-15-19(31)24-5-6-28-9-11-33-12-10-28/h13,16H,5-12,14-15H2,1-4H3,(H,24,31)(H,27,32)