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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN6O2S/c1-4-6-7-8-10-23-19(29)15-31-20-25-17(22)13-18(26-20)27-11-12-28(16(3)14-27)21(30)24-9-5-2/h13,16H,4-12,14-15H2,1-3H3,(H,23,29)(H,24,30)