4-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-6-(4-isopropylsulfonylpiperazin-1-yl)-5-(m-tolylmethyl)-2-phenyl-pyrimidine CAS Name: 4-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-6-(4-isopropylsulfonylpiperazino)-5-(3-methylbenzyl)-2-phenyl-pyrimidine Formula: C27H34N4O2S MolecularWeight: 478.64946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2S/c1-5-25-24(19-22-11-9-10-21(4)18-22)27(29-26(28-25)23-12-7-6-8-13-23)30-14-16-31(17-15-30)34(32,33)20(2)3/h6-13,18,20H,5,14-17,19H2,1-4H3