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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-ethyl-6-(4-mesylpiperazino)-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)C)CC4=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

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