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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(methoxymethyl)-2-phenyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3S/c1-5-17-36(33,34)32-15-13-31(14-16-32)28-25(19-24-18-21(2)11-12-22(24)3)26(20-35-4)29-27(30-28)23-9-7-6-8-10-23/h6-12,18H,5,13-17,19-20H2,1-4H3