3-methyl-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(2-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-[3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-(2-pyridinylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-[3-(4-methylpiperazino)sulfonylphenyl]-2-(2-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H25N7O3S MolecularWeight: 479.5547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C)NN1CC5=CC=CC=N5

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C)NN1CC5=CC=CC=N5

InChI

InChI=1S/C23H25N7O3S/c1-16-20-22(27-30(16)15-18-7-3-4-9-24-18)25-21(26-23(20)31)17-6-5-8-19(14-17)34(32,33)29-12-10-28(2)11-13-29/h3-9,14H,10-13,15H2,1-2H3,(H,25,26,27,31)