(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyladamantane-1-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20Br2N2O3 MolecularWeight: 496.1924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C20H20Br2N2O3/c21-14-1-2-16-23-15(4-17(25)24(16)9-14)10-27-18(26)19-5-12-3-13(6-19)8-20(22,7-12)11-19/h1-2,4,9,12-13H,3,5-8,10-11H2