2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C21H23ClFN5O2S MolecularWeight: 463.956023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCC4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C21H23ClFN5O2S/c22-17-11-18(27-7-9-28(10-8-27)20(30)15-3-4-15)26-21(25-17)31-13-19(29)24-12-14-1-5-16(23)6-2-14/h1-2,5-6,11,15H,3-4,7-10,12-13H2,(H,24,29)