3-(1-adamantyl)-1-[1-[3-(2-bromanyl-3,5-dimethoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-ethyl-urea

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(2-bromanyl-3,5-dimethoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-ethyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(2-bromo-3,5-dimethoxy-phenyl)-4-oxo-quinazolin-2-yl]ethyl]-1-ethyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-1-ethylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethylurea Traditional Name: 3-(1-adamantyl)-1-[1-[3-(2-bromo-3,5-dimethoxy-phenyl)-4-keto-quinazolin-2-yl]ethyl]-1-ethyl-urea Formula: C31H37BrN4O4 MolecularWeight: 609.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3Br)OC)OC)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3Br)OC)OC)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H37BrN4O4/c1-5-35(30(38)34-31-15-19-10-20(16-31)12-21(11-19)17-31)18(2)28-33-24-9-7-6-8-23(24)29(37)36(28)25-13-22(39-3)14-26(40-4)27(25)32/h6-9,13-14,18-21H,5,10-12,15-17H2,1-4H3,(H,34,38)