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

Systemtic Name: 4-[6-chloranyl-2-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(2-dimethylaminoethylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-N-cyclohexyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(2-dimethylaminoethylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(2-dimethylaminoethylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-cyclohexyl-2-methyl-piperazine-1-carboxamide Formula: C22H36ClN7O2S MolecularWeight: 498.08494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCN(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2CCCCC2)C3=CC(=NC(=N3)SCC(=O)NCCN(C)C)Cl

InChI

InChI=1S/C22H36ClN7O2S/c1-16-14-29(11-12-30(16)22(32)25-17-7-5-4-6-8-17)19-13-18(23)26-21(27-19)33-15-20(31)24-9-10-28(2)3/h13,16-17H,4-12,14-15H2,1-3H3,(H,24,31)(H,25,32)