1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(4-bromophenyl)sulfonyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-brosyl-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane Formula: C25H29BrN4O2S MolecularWeight: 529.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(C)C

InChI

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