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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)NCCC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)NCCC

InChI

InChI=1S/C20H33ClN6O2S/c1-3-5-6-7-9-22-18(28)15-30-19-24-16(21)14-17(25-19)26-10-12-27(13-11-26)20(29)23-8-4-2/h14H,3-13,15H2,1-2H3,(H,22,28)(H,23,29)