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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (7-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 (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-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-7-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=CN2C(=NC(=CC2=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C=C1

InChI

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