2-[3-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[3-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[3-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[3-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[3-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[3-(6-fluorobenzothiophen-3-yl)piperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C22H20FN5OS MolecularWeight: 421.490503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=CSC4=C3C=CC(=C4)F)C5=CC=NC=C5

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=CSC4=C3C=CC(=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C22H20FN5OS/c1-27-21(29)11-18(14-4-6-24-7-5-14)26-22(27)28-9-8-25-19(12-28)17-13-30-20-10-15(23)2-3-16(17)20/h2-7,10-11,13,19,25H,8-9,12H2,1H3