3-ethyl-6-methyl-5-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridin-2-one

Systemtic Name: 3-ethyl-6-methyl-5-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridin-2-one Openeye Name: 3-ethyl-6-methyl-5-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2-thienyl]-1H-pyridin-2-one CAS Name: 3-ethyl-6-methyl-5-[5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-1H-pyridin-2-one IUPAC Name: 3-ethyl-6-methyl-5-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1H-pyridin-2-one Traditional Name: 3-ethyl-6-methyl-5-[5-[4-(2-pyrimidyl)piperazino]sulfonyl-2-thienyl]-2-pyridone Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1=CC(=C(NC1=O)C)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O3S2/c1-3-15-13-16(14(2)23-19(15)26)17-5-6-18(29-17)30(27,28)25-11-9-24(10-12-25)20-21-7-4-8-22-20/h4-8,13H,3,9-12H2,1-2H3,(H,23,26)