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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H18N4O4/c22-19-15-8-3-4-9-16(15)23-17(24-19)12-29-18(26)10-5-11-25-20(27)13-6-1-2-7-14(13)21(25)28/h1-4,6-9H,5,10-12H2,(H2,22,23,24)