(4-azanylquinazolin-2-yl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H20N4O4/c1-13-21(27)25(16-8-4-5-9-17(16)29-13)11-10-19(26)28-12-18-23-15-7-3-2-6-14(15)20(22)24-18/h2-9,13H,10-12H2,1H3,(H2,22,23,24)