6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-1-ethyl-3-(phenylmethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-1-ethyl-3-(phenylmethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-(benzyloxymethyl)-6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-1-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-1-ethyl-3-(phenylmethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-1-ethyl-3-(phenylmethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzoxymethyl)-6-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-1-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H35N7O5S MolecularWeight: 581.6864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C3=NC(=O)C4=C(NN(C4=N3)CC)COCC5=CC=CC=C5)OCC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)C3=NC(=O)C4=C(NN(C4=N3)CC)COCC5=CC=CC=C5)OCC

InChI

InChI=1S/C28H35N7O5S/c1-4-33-12-14-34(15-13-33)41(37,38)21-16-22(28(29-17-21)40-6-3)25-30-26-24(27(36)31-25)23(32-35(26)5-2)19-39-18-20-10-8-7-9-11-20/h7-11,16-17,32H,4-6,12-15,18-19H2,1-3H3