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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-3-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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 pyridine-3-carboxylate Traditional Name: nicotinic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CN=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CN=CC=C3)C=C1

InChI

InChI=1S/C16H13N3O3/c1-11-4-5-14-18-13(7-15(20)19(14)9-11)10-22-16(21)12-3-2-6-17-8-12/h2-9H,10H2,1H3