2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[4-(diethylamino)-1-methyl-butyl]acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-N-[5-(diethylamino)pentan-2-yl]acetamide IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]-N-[4-(diethylamino)-1-methyl-butyl]acetamide Formula: C21H37ClN6OS MolecularWeight: 457.07608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCCN(CC)CC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)CCCN(CC)CC)Cl

InChI

InChI=1S/C21H37ClN6OS/c1-5-26(6-2)10-8-9-17(4)23-20(29)16-30-21-24-18(22)15-19(25-21)28-13-11-27(7-3)12-14-28/h15,17H,5-14,16H2,1-4H3,(H,23,29)