2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-hexan-2-yl]sulfanyl-5-[(4-fluorophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-hexan-2-yl]sulfanyl-5-[(4-fluorophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[1-(4-ethylpiperazine-1-carbonyl)pentylsulfanyl]-5-[(4-fluorophenyl)methyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[[1-(4-ethyl-1-piperazinyl)-1-oxohexan-2-yl]thio]-5-[(4-fluorophenyl)methyl]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[1-(4-ethylpiperazin-1-yl)-1-oxohexan-2-yl]sulfanyl-5-[(4-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[1-(4-ethylpiperazine-1-carbonyl)pentylthio]-5-(4-fluorobenzyl)-3,6-dimethyl-pyrimidin-4-one Formula: C25H35FN4O2S MolecularWeight: 474.634403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)CC)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)CC)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C25H35FN4O2S/c1-5-7-8-22(24(32)30-15-13-29(6-2)14-16-30)33-25-27-18(3)21(23(31)28(25)4)17-19-9-11-20(26)12-10-19/h9-12,22H,5-8,13-17H2,1-4H3