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

Systemtic Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-1-propyl-3-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-1-propyl-3-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-1-propyl-3-(2-pyrazinyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-1-propyl-3-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-1-propyl-3-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H31N9O4S MolecularWeight: 553.63654

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=N1)C3=NC=CN=C3)C(=O)N(C=N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCN1C2=C(C(=N1)C3=NC=CN=C3)C(=O)N(C=N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C25H31N9O4S/c1-4-9-34-23-21(22(30-34)19-16-26-7-8-27-19)25(35)33(17-29-23)20-14-18(15-28-24(20)38-6-3)39(36,37)32-12-10-31(5-2)11-13-32/h7-8,14-17H,4-6,9-13H2,1-3H3