6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-1-ethyl-3-(hydroxymethyl)-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-(hydroxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-1-ethyl-3-(hydroxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-1-ethyl-3-(hydroxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-1-ethyl-3-(hydroxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-1-ethyl-3-methylol-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H29N7O5S MolecularWeight: 491.56386

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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)CO)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O5S/c1-4-26-7-9-27(10-8-26)34(31,32)14-11-15(21(22-12-14)33-6-3)18-23-19-17(20(30)24-18)16(13-29)25-28(19)5-2/h11-12,25,29H,4-10,13H2,1-3H3