4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(4-methylphenyl)methyl]-2-phenyl-pyrimidine

Systemtic Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(4-methylphenyl)methyl]-2-phenyl-pyrimidine Openeye Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-phenyl-5-(p-tolylmethyl)pyrimidine CAS Name: 4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidine IUPAC Name: 4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidine Traditional Name: 4-(4-esylpiperazino)-6-ethyl-5-(4-methylbenzyl)-2-phenyl-pyrimidine Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)CC)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)CC)CC4=CC=C(C=C4)C

InChI

InChI=1S/C26H32N4O2S/c1-4-24-23(19-21-13-11-20(3)12-14-21)26(28-25(27-24)22-9-7-6-8-10-22)29-15-17-30(18-16-29)33(31,32)5-2/h6-14H,4-5,15-19H2,1-3H3