(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H25BrN2O3/c1-14-3-2-4-18-24-17(6-19(26)25(14)18)12-28-20(27)11-21-7-15-5-16(8-21)10-22(23,9-15)13-21/h2-4,6,15-16H,5,7-13H2,1H3