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

Systemtic Name: 5-(4-fluorophenyl)-2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-2-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-2-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-2-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[[4-[(5-methylisoxazol-3-yl)methyl]piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

CC1=CC(=NO1)CN2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C22H22FN5O2S/c1-14-10-17(26-30-14)11-27-6-8-28(9-7-27)12-19-24-21(29)20-18(13-31-22(20)25-19)15-2-4-16(23)5-3-15/h2-5,10,13H,6-9,11-12H2,1H3,(H,24,25,29)