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

Systemtic Name: 1-cyclopentyl-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-cyclopentyl-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-cyclopentyl-6-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-cyclopentyl-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-cyclopentyl-6-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H34N6O4S MolecularWeight: 514.64026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)N(N1)C5CCCC5

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)N(N1)C5CCCC5

InChI

InChI=1S/C25H34N6O4S/c1-4-20-22-24(31(28-20)17-8-6-7-9-17)26-23(27-25(22)32)19-16-18(10-11-21(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30/h10-11,16-17,28H,4-9,12-15H2,1-3H3