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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic 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 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C=C1

InChI

InChI=1S/C21H23BrN2O3/c1-13-2-3-17-23-16(5-18(25)24(17)10-13)11-27-19(26)20-6-14-4-15(7-20)9-21(22,8-14)12-20/h2-3,5,10,14-15H,4,6-9,11-12H2,1H3