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

Systemtic Name: 3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-(4-pyrrolidin-1-ylbutyl)urea Openeye Name: 3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-(4-pyrrolidin-1-ylbutyl)urea CAS Name: 3-[6-(2-fluoro-4-nitrophenoxy)-4-pyrimidinyl]-1-methyl-1-[4-(1-pyrrolidinyl)butyl]urea IUPAC Name: 3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methyl-1-(4-pyrrolidin-1-ylbutyl)urea Traditional Name: 3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-(4-pyrrolidinobutyl)urea Formula: C20H25FN6O4 MolecularWeight: 432.448703

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1CCCC1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN(CCCCN1CCCC1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H25FN6O4/c1-25(8-2-3-9-26-10-4-5-11-26)20(28)24-18-13-19(23-14-22-18)31-17-7-6-15(27(29)30)12-16(17)21/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,23,24,28)