4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C24H26N7O+ MolecularWeight: 428.50954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C24H25N7O/c1-29-22-21(15-27-29)23(26-17-25-22)31-13-11-30(12-14-31)16-18-7-9-19(10-8-18)24(32)28-20-5-3-2-4-6-20/h2-10,15,17H,11-14,16H2,1H3,(H,28,32)/p+1