1-[3-(azetidin-1-yl)propyl]-3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea

Systemtic Name: 1-[3-(azetidin-1-yl)propyl]-3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea Openeye Name: 1-[3-(azetidin-1-yl)propyl]-3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea CAS Name: 1-[3-(1-azetidinyl)propyl]-3-[6-(2-fluoro-4-nitrophenoxy)-4-pyrimidinyl]-1-methylurea IUPAC Name: 1-[3-(azetidin-1-yl)propyl]-3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methylurea Traditional Name: 1-[3-(azetidin-1-yl)propyl]-3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-urea Formula: C18H21FN6O4 MolecularWeight: 404.395543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN(CCCN1CCC1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H21FN6O4/c1-23(6-2-7-24-8-3-9-24)18(26)22-16-11-17(21-12-20-16)29-15-5-4-13(25(27)28)10-14(15)19/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,21,22,26)