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

Systemtic Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-phenethyl-urea Openeye Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]propyl]-1-phenethyl-urea CAS Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]propyl]-1-phenethylurea IUPAC Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-phenethylurea Traditional Name: 3-(1-adamantyl)-1-[1-[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]propyl]-1-phenethyl-urea Formula: C36H39BrN4O2 MolecularWeight: 639.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)N(CCC4=CC=CC=C4)C(=O)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br)N(CCC4=CC=CC=C4)C(=O)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C36H39BrN4O2/c1-2-32(33-38-31-11-7-6-10-30(31)34(42)41(33)29-14-12-28(37)13-15-29)40(17-16-24-8-4-3-5-9-24)35(43)39-36-21-25-18-26(22-36)20-27(19-25)23-36/h3-15,25-27,32H,2,16-23H2,1H3,(H,39,43)