5-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[4-(2-pyridylmethyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C23H23N5OS/c29-22-21-19(17-6-2-1-3-7-17)16-30-23(21)26-20(25-22)15-28-12-10-27(11-13-28)14-18-8-4-5-9-24-18/h1-9,16H,10-15H2,(H,25,26,29)