2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[1-(4,6-dimethyl-2-pyrimidinyl)-3,5-dimethyl-4-pyrazolyl]-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrrolidinosulfonylpiperazino)ethanone Formula: C21H31N7O3S MolecularWeight: 461.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)N3CCN(CC3)S(=O)(=O)N4CCCC4)C)C

InChI

InChI=1S/C21H31N7O3S/c1-15-13-16(2)23-21(22-15)28-18(4)19(17(3)24-28)14-20(29)25-9-11-27(12-10-25)32(30,31)26-7-5-6-8-26/h13H,5-12,14H2,1-4H3