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

Systemtic Name: N-butyl-4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C21H33ClN6O2S MolecularWeight: 469.04372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H33ClN6O2S/c1-3-4-8-23-21(30)28-12-11-27(14-16(28)2)18-13-17(22)24-20(25-18)31-15-19(29)26-9-6-5-7-10-26/h13,16H,3-12,14-15H2,1-2H3,(H,23,30)