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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonyl-1-piperazinyl)-2,6-dimethylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-esylpiperazino)-2,6-dimethyl-pyrimidine Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-6-28(26,27)25-11-9-24(10-12-25)21-20(17(4)22-18(5)23-21)14-19-13-15(2)7-8-16(19)3/h7-8,13H,6,9-12,14H2,1-5H3