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

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-nitrophenyl)piperazino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c29-22-21-19(16-4-2-1-3-5-16)15-32-23(21)25-20(24-22)14-26-10-12-27(13-11-26)17-6-8-18(9-7-17)28(30)31/h1-9,15H,10-14H2,(H,24,25,29)