[6-methoxy-4-oxidanylidene-7-(oxiran-2-ylmethyl)quinazolin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [6-methoxy-4-oxidanylidene-7-(oxiran-2-ylmethyl)quinazolin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [6-methoxy-7-(oxiran-2-ylmethyl)-4-oxo-quinazolin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [6-methoxy-7-(2-oxiranylmethyl)-4-oxo-3-quinazolinyl]methyl ester IUPAC Name: [6-methoxy-7-(oxiran-2-ylmethyl)-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (7-glycidyl-4-keto-6-methoxy-quinazolin-3-yl)methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)CC3CO3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=CC(=C(C=C2C1=O)OC)CC3CO3

InChI

InChI=1S/C18H22N2O5/c1-18(2,3)17(22)25-10-20-9-19-14-6-11(5-12-8-24-12)15(23-4)7-13(14)16(20)21/h6-7,9,12H,5,8,10H2,1-4H3