3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(1-ethylheptyl)-3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-[(4-methyl-1-piperazinyl)sulfonyl-phenylmethyl]-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenylmethyl]-1-nonan-3-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(1-ethylheptyl)-3-methyl-6-[(4-methylpiperazino)sulfonyl-phenyl-methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H40N6O3S MolecularWeight: 528.7099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)N1C2=NC(=NC(=O)C2=C(N1)C)C(C3=CC=CC=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CCCCCCC(CC)N1C2=NC(=NC(=O)C2=C(N1)C)C(C3=CC=CC=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C27H40N6O3S/c1-5-7-8-12-15-22(6-2)33-26-23(20(3)30-33)27(34)29-25(28-26)24(21-13-10-9-11-14-21)37(35,36)32-18-16-31(4)17-19-32/h9-11,13-14,22,24,30H,5-8,12,15-19H2,1-4H3