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

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C23H32ClN7O2S MolecularWeight: 506.06388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

InChI

InChI=1S/C23H32ClN7O2S/c1-16-14-30(11-12-31(16)22(33)29-23(2,3)4)19-13-18(24)27-21(28-19)34-15-20(32)26-10-8-17-7-5-6-9-25-17/h5-7,9,13,16H,8,10-12,14-15H2,1-4H3,(H,26,32)(H,29,33)