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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(4-bromophenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-bromophenyl)sulfonyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-(4-bromophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-brosyl-1,4-diazepane Formula: C25H29BrN4O2S MolecularWeight: 529.49236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN4O2S/c1-3-24-23(18-20-8-5-4-6-9-20)25(28-19(2)27-24)29-14-7-15-30(17-16-29)33(31,32)22-12-10-21(26)11-13-22/h4-6,8-13H,3,7,14-18H2,1-2H3