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

Systemtic Name: 4-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-6-chloranyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(tert-butylamino)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C18H29ClN6O2S MolecularWeight: 428.97986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN6O2S/c1-6-20-17(27)25-8-7-24(10-12(25)2)14-9-13(19)21-16(22-14)28-11-15(26)23-18(3,4)5/h9,12H,6-8,10-11H2,1-5H3,(H,20,27)(H,23,26)