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

Systemtic Name: N-tert-butyl-4-[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[2-[[2-(butylamino)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[2-[2-(butylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[2-[[2-(butylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C20H33ClN6O2S MolecularWeight: 457.03302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33ClN6O2S/c1-6-7-8-22-17(28)13-30-18-23-15(21)11-16(24-18)26-9-10-27(14(2)12-26)19(29)25-20(3,4)5/h11,14H,6-10,12-13H2,1-5H3,(H,22,28)(H,25,29)