8-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)C

InChI

InChI=1S/C28H31N5O2S/c1-4-25-24(19-22-12-10-20(2)11-13-22)28(31-21(3)30-25)32-15-17-33(18-16-32)36(34,35)26-9-5-7-23-8-6-14-29-27(23)26/h5-14H,4,15-19H2,1-3H3