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

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enyl-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 6-allyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-1,3-dimethyl-6-prop-2-enyl-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-prop-2-enylpyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 6-allyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H28N6O5S MolecularWeight: 488.55992

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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)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O5S/c1-6-9-28-21(29)20-19(15(2)24-25(20)3)23-22(28)26-10-12-27(13-11-26)34(30,31)16-7-8-17(32-4)18(14-16)33-5/h6-8,14H,1,9-13H2,2-5H3