5-(4-fluorophenyl)-2-[(4-pyridin-4-ylcarbonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-2-[(4-pyridin-4-ylcarbonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(4-isonicotinoylpiperazino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H20FN5O2S MolecularWeight: 449.500603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C23H20FN5O2S/c24-17-3-1-15(2-4-17)18-14-32-22-20(18)21(30)26-19(27-22)13-28-9-11-29(12-10-28)23(31)16-5-7-25-8-6-16/h1-8,14H,9-13H2,(H,26,27,30)