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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-(hexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-(hexylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-(hexylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-(hexylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-(hexylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C22H37ClN6O2S MolecularWeight: 485.08618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCCCC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCCCC

InChI

InChI=1S/C22H37ClN6O2S/c1-4-6-8-9-11-24-20(30)16-32-21-26-18(23)14-19(27-21)28-12-13-29(17(3)15-28)22(31)25-10-7-5-2/h14,17H,4-13,15-16H2,1-3H3,(H,24,30)(H,25,31)