(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-10-13(11(2)22-19(21-10)28-3)5-7-17(25)27-9-16-23-15-6-4-12(20)8-14(15)18(26)24-16/h4,6,8H,5,7,9H2,1-3H3,(H,23,24,26)