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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)N3C=NC4=C(C3=O)C(=NN4CC)COCC5=CC=CC=C5)OCC

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)N3C=NC4=C(C3=O)C(=NN4CC)COCC5=CC=CC=C5)OCC

InChI

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