6-fluoranyl-1-[(2-fluorophenyl)amino]-5-(4-methylpiperazin-1-yl)-3-phenylmethoxy-quinazoline-2,4-dione

Systemtic Name: 6-fluoranyl-1-[(2-fluorophenyl)amino]-5-(4-methylpiperazin-1-yl)-3-phenylmethoxy-quinazoline-2,4-dione Openeye Name: 3-benzyloxy-6-fluoro-1-(2-fluoroanilino)-5-(4-methylpiperazin-1-yl)quinazoline-2,4-dione CAS Name: 6-fluoro-1-(2-fluoroanilino)-5-(4-methyl-1-piperazinyl)-3-phenylmethoxyquinazoline-2,4-dione IUPAC Name: 6-fluoro-1-(2-fluoroanilino)-5-(4-methylpiperazin-1-yl)-3-phenylmethoxyquinazoline-2,4-dione Traditional Name: 3-benzoxy-6-fluoro-1-(2-fluoroanilino)-5-(4-methylpiperazino)quinazoline-2,4-quinone Formula: C26H25F2N5O3 MolecularWeight: 493.505206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC3=C2C(=O)N(C(=O)N3NC4=CC=CC=C4F)OCC5=CC=CC=C5)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC3=C2C(=O)N(C(=O)N3NC4=CC=CC=C4F)OCC5=CC=CC=C5)F

InChI

InChI=1S/C26H25F2N5O3/c1-30-13-15-31(16-14-30)24-20(28)11-12-22-23(24)25(34)33(36-17-18-7-3-2-4-8-18)26(35)32(22)29-21-10-6-5-9-19(21)27/h2-12,29H,13-17H2,1H3