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

Systemtic Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H28N6O4S MolecularWeight: 460.54982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4S/c1-4-8-27-20-17(14-22-27)21(28)24-19(23-20)16-13-15(6-7-18(16)31-5-2)32(29,30)26-11-9-25(3)10-12-26/h6-7,13-14,22H,4-5,8-12H2,1-3H3