[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2)Cl)C

InChI

InChI=1S/C18H16ClN3O3/c1-9-8-10(2)20-15(19)14(9)18(24)25-11(3)16-21-13-7-5-4-6-12(13)17(23)22-16/h4-8,11H,1-3H3,(H,21,22,23)/t11-/m0/s1