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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-(isoamylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C21H35ClN6O2S MolecularWeight: 471.0596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN6O2S/c1-5-6-8-24-21(30)28-11-10-27(13-16(28)4)18-12-17(22)25-20(26-18)31-14-19(29)23-9-7-15(2)3/h12,15-16H,5-11,13-14H2,1-4H3,(H,23,29)(H,24,30)