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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonyl-1-piperazinyl)-6-(methoxymethyl)-2-methylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-esylpiperazino)-6-(methoxymethyl)-2-methyl-pyrimidine Formula: C22H32N4O3S MolecularWeight: 432.57948

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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)COC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3S/c1-6-30(27,28)26-11-9-25(10-12-26)22-20(21(15-29-5)23-18(4)24-22)14-19-13-16(2)7-8-17(19)3/h7-8,13H,6,9-12,14-15H2,1-5H3