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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-octylsulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-octylsulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-octylsulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-octylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-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=CC=C3)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H42N4O2S/c1-4-6-7-8-9-13-21-34(32,33)31-18-14-17-30(19-20-31)27-25(22-24-15-11-10-12-16-24)26(5-2)28-23(3)29-27/h10-12,15-16H,4-9,13-14,17-22H2,1-3H3