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

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-octylsulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-octylsulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-octylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-octylsulfonyl-1,4-diazepane Formula: C26H40N4O2S MolecularWeight: 472.6864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O2S/c1-4-5-6-7-8-12-20-33(31,32)30-17-13-16-29(18-19-30)26-25(22(2)27-23(3)28-26)21-24-14-10-9-11-15-24/h9-11,14-15H,4-8,12-13,16-21H2,1-3H3