2-azanyl-3-[4-[6-iodanyl-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[6-iodanyl-1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(6-iodo-1-methyl-2,4-dioxo-quinazolin-3-yl)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(6-iodo-1-methyl-2,4-dioxo-3-quinazolinyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(6-iodo-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(6-iodo-2,4-diketo-1-methyl-quinazolin-3-yl)phenyl]propionic acid Formula: C18H16IN3O4 MolecularWeight: 465.24181

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)I)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)O)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)I)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)O)N

InChI

InChI=1S/C18H16IN3O4/c1-21-15-7-4-11(19)9-13(15)16(23)22(18(21)26)12-5-2-10(3-6-12)8-14(20)17(24)25/h2-7,9,14H,8,20H2,1H3,(H,24,25)