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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)CN(C)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN1CCC(C1)CN(C)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H21FN6O4/c1-23-6-5-12(9-23)10-24(2)18(26)22-16-8-17(21-11-20-16)29-15-4-3-13(25(27)28)7-14(15)19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,20,21,22,26)