N-(4-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C19H23N8O3+ MolecularWeight: 411.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N8O3/c1-13-3-4-14(9-16(13)27(29)30)23-17(28)11-25-5-7-26(8-6-25)19-15-10-22-24(2)18(15)20-12-21-19/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,28)/p+1