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

Systemtic Name: 2-methyl-4-(4-methylphenoxy)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-6-(4-methylphenoxy)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methyl-6-(4-methylphenoxy)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-6-(4-methylphenoxy)pyrimidine Traditional Name: 4-(4-besylpiperazino)-2-methyl-6-(4-methylphenoxy)pyrimidine Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H24N4O3S/c1-17-8-10-19(11-9-17)29-22-16-21(23-18(2)24-22)25-12-14-26(15-13-25)30(27,28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3