2-[6-fluoranyl-2,4-bis(oxidanylidene)-7-piperazin-1-yl-1H-quinazolin-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[6-fluoranyl-2,4-bis(oxidanylidene)-7-piperazin-1-yl-1H-quinazolin-3-yl]-3-phenyl-propanoic acid Openeye Name: 2-(6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinazolin-3-yl)-3-phenyl-propanoic acid CAS Name: 2-[6-fluoro-2,4-dioxo-7-(1-piperazinyl)-1H-quinazolin-3-yl]-3-phenylpropanoic acid IUPAC Name: 2-(6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinazolin-3-yl)-3-phenylpropanoic acid Traditional Name: 2-(6-fluoro-2,4-diketo-7-piperazino-1H-quinazolin-3-yl)-3-phenyl-propionic acid Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)NC(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)NC(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C21H21FN4O4/c22-15-11-14-16(12-17(15)25-8-6-23-7-9-25)24-21(30)26(19(14)27)18(20(28)29)10-13-4-2-1-3-5-13/h1-5,11-12,18,23H,6-10H2,(H,24,30)(H,28,29)