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

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H22N4O3S/c1-11-14(12(2)22-20(21-11)28-4)9-10-17(25)27-13(3)18-23-16-8-6-5-7-15(16)19(26)24-18/h5-8,13H,9-10H2,1-4H3,(H,23,24,26)/t13-/m1/s1