2-methyl-4-(4-methylphenoxy)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 2-methyl-4-(4-methylphenoxy)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine CAS Name: 2-methyl-4-(4-methylphenoxy)-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-2-methyl-6-(4-methylphenoxy)pyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-2-methyl-6-(4-methylphenoxy)pyrimidine Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O3S/c1-18-8-10-21(11-9-18)30-23-16-22(24-19(2)25-23)26-12-14-27(15-13-26)31(28,29)17-20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3