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

Systemtic Name: 1-decan-4-yl-3-ethyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-ethyl-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-ethyl-6-[(4-methyl-1-piperazinyl)sulfonyl-phenylmethyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-decan-4-yl-3-ethyl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenylmethyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-ethyl-6-[(4-methylpiperazino)sulfonyl-phenyl-methyl]-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H44N6O3S MolecularWeight: 556.76306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N6O3S/c1-5-8-9-13-17-23(14-6-2)35-28-25(24(7-3)32-35)29(36)31-27(30-28)26(22-15-11-10-12-16-22)39(37,38)34-20-18-33(4)19-21-34/h10-12,15-16,23,26,32H,5-9,13-14,17-21H2,1-4H3