3-methyl-5-[[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 3-methyl-5-[[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 3-methyl-5-[[2-(4-methylpiperazin-4-ium-1-yl)anilino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 3-methyl-5-[[2-(4-methyl-1-piperazin-4-iumyl)anilino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 3-methyl-5-[[2-(4-methylpiperazin-4-ium-1-yl)anilino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 3-methyl-5-[[2-(4-methylpiperazin-4-ium-1-yl)anilino]methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNC4=CC=CC=C4N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNC4=CC=CC=C4N5CC[NH+](CC5)C

InChI

InChI=1S/C25H28N6O/c1-18-21-16-19(25(32)27-24(21)31(28-18)20-8-4-3-5-9-20)17-26-22-10-6-7-11-23(22)30-14-12-29(2)13-15-30/h3-11,16,26,28H,12-15,17H2,1-2H3/p+1