N-(4-cyanophenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-cyanophenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-cyanophenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-cyanophenyl)-3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-cyanophenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-cyanophenyl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]propionamide Formula: C20H23N8O+ MolecularWeight: 391.44962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H22N8O/c1-26-19-17(13-24-26)20(23-14-22-19)28-10-8-27(9-11-28)7-6-18(29)25-16-4-2-15(12-21)3-5-16/h2-5,13-14H,6-11H2,1H3,(H,25,29)/p+1