6-ethyl-3-methyl-2-[1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-2-yl]sulfanyl-pyrimidin-4-one

Systemtic Name: 6-ethyl-3-methyl-2-[1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-2-yl]sulfanyl-pyrimidin-4-one Openeye Name: 2-[1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]pentylsulfanyl]-6-ethyl-3-methyl-pyrimidin-4-one CAS Name: 6-ethyl-3-methyl-2-[[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]hexan-2-yl]thio]-4-pyrimidinone IUPAC Name: 6-ethyl-3-methyl-2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-2-yl]sulfanylpyrimidin-4-one Traditional Name: 2-[1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]pentylthio]-6-ethyl-3-methyl-pyrimidin-4-one Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)SC3=NC(=CC(=O)N3C)CC

InChI

InChI=1S/C26H36N4O2S/c1-4-6-14-23(33-26-27-22(5-2)20-24(31)28(26)3)25(32)30-18-16-29(17-19-30)15-10-13-21-11-8-7-9-12-21/h7-13,20,23H,4-6,14-19H2,1-3H3/b13-10+