4,5-dimethyl-2-(4-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4,5-dimethyl-2-(4-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4,5-dimethyl-2-(p-tolyl)-6-[4-[(E)-styryl]sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4,5-dimethyl-2-(4-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4,5-dimethyl-2-(4-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4,5-dimethyl-2-(p-tolyl)-6-[4-[(E)-styryl]sulfonylpiperazino]pyrimidine Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H28N4O2S/c1-19-9-11-23(12-10-19)24-26-21(3)20(2)25(27-24)28-14-16-29(17-15-28)32(30,31)18-13-22-7-5-4-6-8-22/h4-13,18H,14-17H2,1-3H3/b18-13+