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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C23H30ClFN6O2S MolecularWeight: 509.039703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C23H30ClFN6O2S/c1-3-4-9-26-23(33)31-11-10-30(14-16(31)2)20-12-19(24)28-22(29-20)34-15-21(32)27-13-17-5-7-18(25)8-6-17/h5-8,12,16H,3-4,9-11,13-15H2,1-2H3,(H,26,33)(H,27,32)