2-methyl-4-phenoxy-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-methyl-4-phenoxy-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-6-phenoxy-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methyl-6-phenoxypyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-6-phenoxypyrimidine Traditional Name: 4-(4-besylpiperazino)-2-methyl-6-phenoxy-pyrimidine Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)OC2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-17-22-20(16-21(23-17)28-18-8-4-2-5-9-18)24-12-14-25(15-13-24)29(26,27)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3