1-cyclopentyl-3-ethyl-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-cyclopentyl-3-ethyl-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-3-ethyl-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-3-ethyl-6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-3-ethyl-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-3-ethyl-6-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H38N6O4S MolecularWeight: 542.69342

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(NN(C4=N3)C5CCCC5)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(NN(C4=N3)C5CCCC5)CC

InChI

InChI=1S/C27H38N6O4S/c1-4-17-37-23-12-11-20(38(35,36)32-15-13-31(6-3)14-16-32)18-21(23)25-28-26-24(27(34)29-25)22(5-2)30-33(26)19-9-7-8-10-19/h11-12,18-19,30H,4-10,13-17H2,1-3H3