3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]propyl]-1-hexyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]propyl]-1-hexylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexylurea Traditional Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]propyl]-1-hexyl-urea Formula: C34H43BrN4O2 MolecularWeight: 619.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C34H43BrN4O2/c1-3-5-6-9-16-38(33(41)37-34-20-23-17-24(21-34)19-25(18-23)22-34)30(4-2)31-36-29-11-8-7-10-28(29)32(40)39(31)27-14-12-26(35)13-15-27/h7-8,10-15,23-25,30H,3-6,9,16-22H2,1-2H3,(H,37,41)