5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1,3-dimethyl-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-5-[4-(4-fluorophenyl)sulfonylpiperazino]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H23FN6O3S MolecularWeight: 446.498423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)CC=C)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C20H23FN6O3S/c1-4-9-27-19(28)18-17(14(2)23-24(18)3)22-20(27)25-10-12-26(13-11-25)31(29,30)16-7-5-15(21)6-8-16/h4-8H,1,9-13H2,2-3H3