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

Systemtic Name: 2-[[6-iodanyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[(6-iodo-2,4-dioxo-1H-quinazolin-3-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(6-iodo-2,4-dioxo-1H-quinazolin-3-yl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(6-iodo-2,4-dioxo-1H-quinazolin-3-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(6-iodo-2,4-diketo-1H-quinazolin-3-yl)amino]-3-phenyl-propionic acid Formula: C17H14IN3O4 MolecularWeight: 451.21523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NN2C(=O)C3=C(C=CC(=C3)I)NC2=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NN2C(=O)C3=C(C=CC(=C3)I)NC2=O

InChI

InChI=1S/C17H14IN3O4/c18-11-6-7-13-12(9-11)15(22)21(17(25)19-13)20-14(16(23)24)8-10-4-2-1-3-5-10/h1-7,9,14,20H,8H2,(H,19,25)(H,23,24)