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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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