4-[[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole Formula: C23H22N7S2+ MolecularWeight: 460.59768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C23H21N7S2/c1-2-4-19(5-3-1)30-22-20(12-26-30)21(24-16-25-22)29-9-7-28(8-10-29)13-18-15-32-23(27-18)17-6-11-31-14-17/h1-6,11-12,14-16H,7-10,13H2/p+1