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

Systemtic Name: 1-decan-4-yl-3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-decan-4-yl-3-methyl-6-[(4-methyl-1-piperazinyl)sulfonyl-phenylmethyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-decan-4-yl-3-methyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenylmethyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-[(4-methylpiperazino)sulfonyl-phenyl-methyl]-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H42N6O3S MolecularWeight: 542.73648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N6O3S/c1-5-7-8-12-16-23(13-6-2)34-27-24(21(3)31-34)28(35)30-26(29-27)25(22-14-10-9-11-15-22)38(36,37)33-19-17-32(4)18-20-33/h9-11,14-15,23,25,31H,5-8,12-13,16-20H2,1-4H3