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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-esylpiperazino)-6-ethyl-2-phenyl-pyrimidine Formula: C27H34N4O2S MolecularWeight: 478.64946

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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=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-5-25-24(19-23-18-20(3)12-13-21(23)4)27(29-26(28-25)22-10-8-7-9-11-22)30-14-16-31(17-15-30)34(32,33)6-2/h7-13,18H,5-6,14-17,19H2,1-4H3