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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-1-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl adamantane-1-carboxylate CAS Name: 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 adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-keto-7-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=CN2C(=NC(=CC2=O)COC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

Isomeric SMILES

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

InChI

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