1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane

Systemtic Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Openeye Name: 1-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-octylsulfonyl-1,4-diazepane IUPAC Name: 1-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Traditional Name: 1-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Formula: C27H42N4O2S MolecularWeight: 486.71298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C27H42N4O2S/c1-5-6-7-8-9-10-20-34(32,33)31-17-11-16-30(18-19-31)27-26(23(3)28-24(4)29-27)21-25-14-12-22(2)13-15-25/h12-15H,5-11,16-21H2,1-4H3