(4-azanylquinazolin-2-yl)methyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H18N4O4/c1-12-6-7-13-15(10-12)21(28)25(20(13)27)9-8-18(26)29-11-17-23-16-5-3-2-4-14(16)19(22)24-17/h2-7,10H,8-9,11H2,1H3,(H2,22,23,24)