6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-1-propyl-3-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-1-propyl-3-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-1-propyl-3-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxy-3-pyridinyl]-1-propyl-3-(2-pyridinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxypyridin-3-yl]-1-propyl-3-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-1-propyl-3-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H36N8O4S MolecularWeight: 580.70164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=N3)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=N3)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C28H36N8O4S/c1-4-11-36-26-24(23(33-36)17-20-9-7-8-10-29-20)27(37)32-25(31-26)22-18-21(19-30-28(22)40-16-5-2)41(38,39)35-14-12-34(6-3)13-15-35/h7-10,18-19,33H,4-6,11-17H2,1-3H3