(4-azanylquinazolin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C21H24BrN3O2/c22-21-8-13-5-14(9-21)7-20(6-13,12-21)10-18(26)27-11-17-24-16-4-2-1-3-15(16)19(23)25-17/h1-4,13-14H,5-12H2,(H2,23,24,25)