2-[[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[4-[(2,5-diphenyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazino]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C27H23N6O2S- MolecularWeight: 495.57552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=N2)[O-])SC=C3)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=N2)[O-])SC=C3)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N6O2S/c34-26-25-21(11-16-36-25)28-24(29-26)18-31-12-14-32(15-13-31)27(35)23-17-22(19-7-3-1-4-8-19)30-33(23)20-9-5-2-6-10-20/h1-11,16-17H,12-15,18H2,(H,28,29,34)/p-1