N-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-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-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-butyl-4-[6-chloro-2-[[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-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:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=N3)Cl

InChI

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