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

Systemtic Name: 6-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-phenyl-2-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-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=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

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