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

Systemtic Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde Openeye Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde CAS Name: 6-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxaldehyde IUPAC Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde Traditional Name: 6-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-4-keto-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)C=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)C=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C22H28N6O5S/c1-4-8-28-21-19(17(14-29)25-28)22(30)24-20(23-21)16-13-15(6-7-18(16)33-5-2)34(31,32)27-11-9-26(3)10-12-27/h6-7,13-14,25H,4-5,8-12H2,1-3H3