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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-(4-bromophenyl)sulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-brosyl-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C25H29BrN4O2S MolecularWeight: 529.49236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C)C

InChI

InChI=1S/C25H29BrN4O2S/c1-18-5-7-21(8-6-18)17-24-19(2)27-20(3)28-25(24)29-13-4-14-30(16-15-29)33(31,32)23-11-9-22(26)10-12-23/h5-12H,4,13-17H2,1-3H3