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

Systemtic Name: 3-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-(3-pyrrolidin-1-ylpropyl)urea Openeye Name: 3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-(3-pyrrolidin-1-ylpropyl)urea CAS Name: 3-[6-(2-fluoro-4-nitrophenoxy)-4-pyrimidinyl]-1-methyl-1-[3-(1-pyrrolidinyl)propyl]urea IUPAC Name: 3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methyl-1-(3-pyrrolidin-1-ylpropyl)urea Traditional Name: 3-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-1-methyl-1-(3-pyrrolidinopropyl)urea Formula: C19H23FN6O4 MolecularWeight: 418.422123

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCCC1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN(CCCN1CCCC1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H23FN6O4/c1-24(7-4-10-25-8-2-3-9-25)19(27)23-17-12-18(22-13-21-17)30-16-6-5-14(26(28)29)11-15(16)20/h5-6,11-13H,2-4,7-10H2,1H3,(H,21,22,23,27)