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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33ClN6O2S/c1-4-6-8-22-18(28)14-30-19-24-16(21)12-17(25-19)26-10-11-27(15(3)13-26)20(29)23-9-7-5-2/h12,15H,4-11,13-14H2,1-3H3,(H,22,28)(H,23,29)