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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-2-phenyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-2-phenyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonyl-1-piperazinyl)-6-methyl-2-phenylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-2-phenylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-esylpiperazino)-6-methyl-2-phenyl-pyrimidine Formula: C26H32N4O2S MolecularWeight: 464.62288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C4=CC=CC=C4

InChI

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