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

Systemtic Name: 1-methyl-5-(3-piperazin-2-ylsulfonyl-2-propoxy-phenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-(3-piperazin-2-ylsulfonyl-2-propoxy-phenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[3-(2-piperazinylsulfonyl)-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-(3-piperazin-2-ylsulfonyl-2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-(3-piperazin-2-ylsulfonyl-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)C4CNCCN4)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C(=CC=C3)S(=O)(=O)C4CNCCN4)OCCC)C

InChI

InChI=1S/C22H30N6O4S/c1-4-7-15-18-19(28(3)27-15)22(29)26-21(25-18)14-8-6-9-16(20(14)32-12-5-2)33(30,31)17-13-23-10-11-24-17/h6,8-9,17,23-24H,4-5,7,10-13H2,1-3H3,(H,25,26,29)