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

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-ethyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]propyl]-1-ethyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]propyl]-1-ethylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea Traditional Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]propyl]-1-ethyl-urea Formula: C30H35BrN4O2 MolecularWeight: 563.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35BrN4O2/c1-3-26(34(4-2)29(37)33-30-16-19-13-20(17-30)15-21(14-19)18-30)27-32-25-8-6-5-7-24(25)28(36)35(27)23-11-9-22(31)10-12-23/h5-12,19-21,26H,3-4,13-18H2,1-2H3,(H,33,37)