[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)C)C#N

InChI

InChI=1S/C21H20N4O4/c1-11-14(12(2)23-21(28)16(11)10-22)8-9-18(26)29-13(3)19-24-17-7-5-4-6-15(17)20(27)25-19/h4-7,13H,8-9H2,1-3H3,(H,23,28)(H,24,25,27)/t13-/m1/s1