4-(3,5-dimethylpyrazol-1-yl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-(3,5-dimethyl-1-pyrazolyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine Traditional Name: 4-(4-besylpiperazino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C19H22N6O2S/c1-15-12-16(2)25(22-15)19-13-18(20-14-21-19)23-8-10-24(11-9-23)28(26,27)17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3