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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C22H35ClN6O2S MolecularWeight: 483.0703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C)Cl

InChI

InChI=1S/C22H35ClN6O2S/c1-4-5-8-24-22(31)29-12-11-28(14-17(29)3)19-13-18(23)25-21(26-19)32-15-20(30)27-9-6-16(2)7-10-27/h13,16-17H,4-12,14-15H2,1-3H3,(H,24,31)