2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[4-(diethylamino)-1-methyl-butyl]acetamide CAS Name: 2-[[4-chloro-6-[4-[(4-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-[5-(diethylamino)pentan-2-yl]acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[5-(diethylamino)pentan-2-yl]acetamide Traditional Name: 2-[[4-chloro-6-[4-(4-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-[4-(diethylamino)-1-methyl-butyl]acetamide Formula: C27H38ClFN6O2S MolecularWeight: 565.146023

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H38ClFN6O2S/c1-5-33(6-2)13-7-8-19(3)30-25(36)18-38-27-31-23(28)16-24(32-27)34-14-15-35(20(4)17-34)26(37)21-9-11-22(29)12-10-21/h9-12,16,19-20H,5-8,13-15,17-18H2,1-4H3,(H,30,36)