5-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 2,4-dimethyl-6-(4-octylsulfonylpiperazino)-5-p-anisyl-pyrimidine Formula: C26H40N4O3S MolecularWeight: 488.6858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O3S/c1-5-6-7-8-9-10-19-34(31,32)30-17-15-29(16-18-30)26-25(21(2)27-22(3)28-26)20-23-11-13-24(33-4)14-12-23/h11-14H,5-10,15-20H2,1-4H3