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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-mesitylsulfonyl-1,4-diazepane Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)CC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O2S/c1-6-26-25(19-24-11-8-7-9-12-24)28(30-23(5)29-26)31-13-10-14-32(16-15-31)35(33,34)27-21(3)17-20(2)18-22(27)4/h7-9,11-12,17-18H,6,10,13-16,19H2,1-5H3