3-(4-fluorophenyl)-1-[1-[3-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-phenyl-urea

Systemtic Name: 3-(4-fluorophenyl)-1-[1-[3-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-1-phenyl-urea Openeye Name: 3-(4-fluorophenyl)-1-[1-[3-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-2-yl]ethyl]-1-phenyl-urea CAS Name: 3-(4-fluorophenyl)-1-[1-[3-(4-methyl-1-piperazinyl)-4-oxo-2-quinazolinyl]ethyl]-1-phenylurea IUPAC Name: 3-(4-fluorophenyl)-1-[1-[3-(4-methylpiperazin-1-yl)-4-oxoquinazolin-2-yl]ethyl]-1-phenylurea Traditional Name: 3-(4-fluorophenyl)-1-[1-[4-keto-3-(4-methylpiperazino)quinazolin-2-yl]ethyl]-1-phenyl-urea Formula: C28H29FN6O2 MolecularWeight: 500.567263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1N3CCN(CC3)C)N(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1N3CCN(CC3)C)N(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C28H29FN6O2/c1-20(34(23-8-4-3-5-9-23)28(37)30-22-14-12-21(29)13-15-22)26-31-25-11-7-6-10-24(25)27(36)35(26)33-18-16-32(2)17-19-33/h3-15,20H,16-19H2,1-2H3,(H,30,37)