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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-mesylpiperazino)-6-methyl-2-phenyl-pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(N=C2N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4)C

InChI

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