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

Systemtic Name: 4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-5-(m-tolylmethyl)-2-phenyl-pyrimidine CAS Name: 4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 4-ethyl-5-[(3-methylphenyl)methyl]-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 4-ethyl-6-(4-mesylpiperazino)-5-(3-methylbenzyl)-2-phenyl-pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-4-23-22(18-20-10-8-9-19(2)17-20)25(27-24(26-23)21-11-6-5-7-12-21)28-13-15-29(16-14-28)32(3,30)31/h5-12,17H,4,13-16,18H2,1-3H3