(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-1-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-1-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2O3/c1-13-3-2-4-23-18(24)8-17(22-19(13)23)12-26-20(25)21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,14-16H,5-7,9-12H2,1H3