N-tert-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-oxo-2-(3-pyridylmethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-oxo-2-(3-pyridinylmethylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-keto-2-(3-pyridylmethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C22H30ClN7O2S MolecularWeight: 492.0373

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C22H30ClN7O2S/c1-15-13-29(8-9-30(15)21(32)28-22(2,3)4)18-10-17(23)26-20(27-18)33-14-19(31)25-12-16-6-5-7-24-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3,(H,25,31)(H,28,32)