5-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-cyclohexyl-1-piperazinyl)sulfonyl]-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-cyclohexylpiperazino)sulfonyl-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H38N6O4S MolecularWeight: 542.69342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5CCCCC5)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5CCCCC5)OCC)C

InChI

InChI=1S/C27H38N6O4S/c1-4-9-22-24-25(31(3)30-22)27(34)29-26(28-24)21-18-20(12-13-23(21)37-5-2)38(35,36)33-16-14-32(15-17-33)19-10-7-6-8-11-19/h12-13,18-19H,4-11,14-17H2,1-3H3,(H,28,29,34)