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

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-methyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]propyl]-1-methyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]propyl]-1-methylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea Traditional Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]propyl]-1-methyl-urea Formula: C29H33BrN4O2 MolecularWeight: 549.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33BrN4O2/c1-3-25(33(2)28(36)32-29-15-18-12-19(16-29)14-20(13-18)17-29)26-31-24-7-5-4-6-23(24)27(35)34(26)22-10-8-21(30)9-11-22/h4-11,18-20,25H,3,12-17H2,1-2H3,(H,32,36)