6-[2-ethoxy-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-ethoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-ethoxy-5-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-ethoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[2-ethoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C22H28N6O3/c1-4-8-28-20-17(14-23-28)21(29)25-19(24-20)16-13-15(6-7-18(16)31-5-2)22(30)27-11-9-26(3)10-12-27/h6-7,13-14,23H,4-5,8-12H2,1-3H3