1-methyl-5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[5-(1-piperazinylsulfonyl)-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-(5-piperazinosulfonyl-2-propoxy-phenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H30N6O4S MolecularWeight: 474.5764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCCC)C

InChI

InChI=1S/C22H30N6O4S/c1-4-6-17-19-20(27(3)26-17)22(29)25-21(24-19)16-14-15(7-8-18(16)32-13-5-2)33(30,31)28-11-9-23-10-12-28/h7-8,14,23H,4-6,9-13H2,1-3H3,(H,24,25,29)