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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-phenyl-pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-phenyl-pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonyl-1-piperazinyl)-6-(methoxymethyl)-2-phenylpyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-phenylpyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(4-esylpiperazino)-6-(methoxymethyl)-2-phenyl-pyrimidine Formula: C27H34N4O3S MolecularWeight: 494.64886

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3S/c1-5-35(32,33)31-15-13-30(14-16-31)27-24(18-23-17-20(2)11-12-21(23)3)25(19-34-4)28-26(29-27)22-9-7-6-8-10-22/h6-12,17H,5,13-16,18-19H2,1-4H3