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

Systemtic Name: 4-[6-chloranyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C20H32ClN7O2S MolecularWeight: 470.03178

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC)Cl

InChI

InChI=1S/C20H32ClN7O2S/c1-4-22-20(30)28-11-10-27(13-15(28)3)17-12-16(21)23-19(24-17)31-14-18(29)26-8-6-25(5-2)7-9-26/h12,15H,4-11,13-14H2,1-3H3,(H,22,30)