3-[4-(4-azanyl-2-fluoranyl-phenoxy)pyridin-2-yl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea

Systemtic Name: 3-[4-(4-azanyl-2-fluoranyl-phenoxy)pyridin-2-yl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea Openeye Name: 3-[4-(4-amino-2-fluoro-phenoxy)-2-pyridyl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea CAS Name: 3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1-methyl-1-[3-(4-methyl-1-piperazinyl)propyl]urea IUPAC Name: 3-[4-(4-amino-2-fluorophenoxy)pyridin-2-yl]-1-methyl-1-[3-(4-methylpiperazin-1-yl)propyl]urea Traditional Name: 3-[4-(4-amino-2-fluoro-phenoxy)-2-pyridyl]-1-methyl-1-[3-(4-methylpiperazino)propyl]urea Formula: C21H29FN6O2 MolecularWeight: 416.492363

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(C)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)N)F

Isomeric SMILES

CN1CCN(CC1)CCCN(C)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)N)F

InChI

InChI=1S/C21H29FN6O2/c1-26-10-12-28(13-11-26)9-3-8-27(2)21(29)25-20-15-17(6-7-24-20)30-19-5-4-16(23)14-18(19)22/h4-7,14-15H,3,8-13,23H2,1-2H3,(H,24,25,29)