2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-N-[2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]-N-(2-pyrrolidinoethyl)acetamide Formula: C18H29ClN6OS MolecularWeight: 412.98046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCC3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCN3CCCC3)Cl

InChI

InChI=1S/C18H29ClN6OS/c1-2-23-9-11-25(12-10-23)16-13-15(19)21-18(22-16)27-14-17(26)20-5-8-24-6-3-4-7-24/h13H,2-12,14H2,1H3,(H,20,26)